SCHEMBL422417

SCHEMBL422417

O=[N+]([O-])c1ccccc1C1=CCNC=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTPN1 P18031 1/20 0.39
▸ S100A4 P26447 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MGAM O43451 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ SI P14410 2/20 0.37
▸ MGAM2 Q2M2H8 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GUSB P08236 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ C1R P00736 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1287837 0.71 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL30535903 0.71 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL27837039 0.71 ALDH1A1 (0.45) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL29337140 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL30987815 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
Ammonia Solution, Strong SCHEMBL9060371 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL8993582 0.66 ALDH1A1 (0.61) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL9655477 0.66 ALDH1A1 (0.46) ALDH1A1TDP1PTPN1S100A4PTPRC
Hydrochloric Acid SCHEMBL1513499 0.66 HTR2C (0.53) ALDH1A1TDP1MAPTHSD17B10
SCHEMBL4790049 0.66 HTR2C (0.53) ALDH1A1TDP1MAPTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 317 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640780-B1 UV CURABLE ANHYDRIDE-MODIFIED POLY(ISOBUTYLENE) 3M INNOVATIVE PROPERTIES CO (US) 2018-05-09 — — EP claimed
EP-2820052-B1 PHOTOBASE GENERATORS AS LATENT IONIC CROSSLINKERS FOR ACRYLIC PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2017-06-14 — — EP claimed
US-20160017073-A1 PHOTOBASE GENERATORS AS LATENT IONIC CROSSLINKERS FOR ACRYLIC PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY 2016-01-21 — — US claimed
US-9238702-B1 Photobase generators as latent ionic crosslinkers for acrylic pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-19 — — US claimed
US-9217050-B2 Crosslinkable composition comprising photobase generators 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-22 — — US claimed
US-20150232596-A1 CROSSLINKABLE COMPOSITION COMPRISING PHOTOBASE GENERATORS 3M INNOVATIVE PROPERTIES COMPANY 2015-08-20 — — US claimed
EP-2834313-A1 CROSSLINKABLE COMPOSITION COMPRISING PHOTOBASE GENERATORS 3M Innovative Properties Company (US) 2015-02-11 — — EP claimed
EP-2820052-A1 PHOTOBASE GENERATORS AS LATENT IONIC CROSSLINKERS FOR ACRYLIC PRESSURE-SENSITIVE ADHESIVES 3M Innovative Properties Company (US) 2015-01-07 — — EP claimed
US-8673996-B2 UV curable anhydride-modified poly(isobutylene) 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 — — US claimed
WO-2013151739-A1 CROSSLINKABLE COMPOSITION COMPRISING PHOTOBASE GENERATORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-10 — — WO claimed
US-5861235-A Ultraviolet-curable composition and method for patterning the cured product therefrom DOW CORNING ASIA, LTD. (JP) 1999-01-19 — — US claimed
US-5820944-A Ultraviolet-curable composition and method for forming cured-product patterns therefrom DOW CORNING ASIA, LTD. (JP) 1998-10-13 — — US claimed
US-5789460-A Radiation curable compositions DOW CORNING ASIA, LTD. (JP) 1998-08-04 — — US claimed
CN-1172972-A Ultraviolet-curable composition and method for forming cured-product patterns therefrom DOW CORNING ASIA LTD (JP) 1998-02-11 — — CN claimed
EP-0819117-A1 DIMETHYLAMINE BENZOATE OR P-ANISATE CATALYSED PROCESS FOR THE PREPARATION OF 4-(NITROPHENYL)-DIHYDROPYRIDINES LUSOCHIMICA S.P.A. (IT) 1998-01-21 — — EP claimed
EP-0816925-A1 Ultraviolet-curable composition and method for curing or patterning DOW CORNING ASIA, Ltd. (JP) 1998-01-07 — — EP claimed
EP-0799858-A1 Ultraviolet-curable composition and method for forming cured-product patterns therefrom DOW CORNING ASIA, Ltd. (JP) 1997-10-08 — — EP claimed
EP-0798341-A1 Radiation-curable composition and method for manufacturing cured-product patterns therefrom DOW CORNING ASIA, Ltd. (JP) 1997-10-01 — — EP claimed
WO-1996029310-A1 DIMETHYLAMINE BENZOATE OR P-ANISATE CATALYSED PROCESS FOR THE PREPARATION OF 4-(NITROPHENYL)-DIHYDROPYRIDINES LUSOCHIMICA S.P.A. (IT) 1996-09-26 — — WO claimed
EP-0725106-A2 Radiation curable compositions DOW CORNING ASIA, Ltd. (JP) 1996-08-07 — — EP claimed
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