SCHEMBL7873124

SCHEMBL7873124

N=C(NC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 3/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL3198029 0.85 F2 (0.50) CES1MAPTKMT2AALOX15CYP3A4
SCHEMBL3069331 0.84 ALDH1A1 (0.55) MAPTKMT2AALOX15MEN1KDM4E
SCHEMBL17734061 0.82 CES1 (0.46) CES1MAPTKMT2AALOX15CYP3A4
SCHEMBL16443664 0.82 CA1 (0.50) MAPTKMT2ACYP3A4MEN1HPGD
SCHEMBL3862551 0.80 MASP2 (0.46) MAPTKMT2ACYP3A4TDP1MEN1
SCHEMBL34464716 0.80 CES2 (0.48) CES1MAPTKMT2ACYP3A4MEN1
SCHEMBL10814700 0.80 TSHR (0.54) CES1MAPTKMT2AALOX15CYP3A4
SCHEMBL15589115 0.80 F2 (0.46) CES1MAPTKMT2AALOX15CYP3A4
SCHEMBL11132893 0.80 CES1 (0.50) CES1MAPTKMT2AALOX15CYP3A4
Toluene SCHEMBL10507527 0.80 SMN1; SMN2 (0.53) CES1MAPTKMT2ACYP3A4MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497734-B1 Process for the preparation of 2-(2',4'-dihydroxyphenyl)-4,6-diaryl-s-triazines CIBA SC HOLDING AG (CH) 2000-05-10 EP claimed
US-5463048-A Immunosuppressive, antiinflammatory, antifungal, antitumor, antiproliferative agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-31 US claimed
US-5182389-A PROCESS FOR THE PREPARATION OF 2-(2',4'-DIHYDROXYPHENYL)-4,6-DIARYL-S-TRIAZINES CIBA-GEIGY CORPORATION (US) 1993-01-26 US claimed
EP-0765329-B1 RAPAMYCIN AMIDINO CARBAMATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PROD (US) 2001-08-16 EP disclosed
US-5637590-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-10 US disclosed
EP-0765329-A1 RAPAMYCIN AMIDINO CARBAMATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1997-04-02 EP disclosed
US-5541192-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed
US-5541191-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed
US-5508286-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US disclosed
WO-1995034565-A1 RAPAMYCIN AMIDINO CARBAMATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-21 WO disclosed
US-5463048-A Immunosuppressive, antiinflammatory, antifungal, antitumor, antiproliferative agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-31 US disclosed
EP-0406760-B1 Plant growth regulating composition SUMITOMO CHEMICAL CO (JP) 1994-10-05 EP disclosed
EP-0052819-B1 PROCESS FOR PREPARING AMIDINECARBOXYLIC ACIDS UBE INDUSTRIES, LTD. (JP) 1984-02-29 EP disclosed
US-4375554-A REACTING AN ALKOXYIMINOACETIC ACID ESTER WITH A PRIMARY AMINE UBE INDUSTRIES LTD. (JP) 1983-03-01 US disclosed
EP-0052819-A1 Process for preparing amidinecarboxylic acids UBE INDUSTRIES, LTD. (JP) 1982-06-02 EP disclosed