SCHEMBL8319183

SCHEMBL8319183

COC(=O)CNC(=O)Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.40

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
SCHEMBL8320236 0.85 MEN1 (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8191825 0.77 LMNA (0.46) ALDH1A1MAPTLMNATDP1ATM
SCHEMBL4908494 0.77 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL3841711 0.76 LMNA (0.55) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL2134731 0.75 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPTTDP1ATM
SCHEMBL1067110 0.75 TDP1 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL1067105 0.75 TDP1 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL2028324 0.75 L3MBTL1 (0.51) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL8139482 0.75 TDP1 (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL29128677 0.74 TDP1 (0.43) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 — — US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 — — US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 — — US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 — — US disclosed
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 — — EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 — — US disclosed
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