SCHEMBL6635874

SCHEMBL6635874

CCOC(=O)Cn1c(C(O)c2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 6/20 0.47
SMARCA2 P51531 1/20 0.45
F2 P00734 2/20 0.43
S1PR1 P21453 3/20 0.42
PKM P14618 2/20 0.41
BRD1 O95696 4/20 0.40
BRPF3 Q9ULD4 3/20 0.40
BRD4 O60885 2/20 0.40
BRD9 Q9H8M2 2/20 0.40
BRD7 Q9NPI1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6635529 0.94 BRPF1 (0.45) BRPF1SMARCA2S1PR1PKMBRD1
SCHEMBL8029744 0.84 F2 (0.60) BRPF1SMARCA2F2PKMBRD1
SCHEMBL6635871 0.83 BRPF1 (0.48) BRPF1SMARCA2F2PKMALDH1A1
SCHEMBL6639199 0.81 HCRTR2 (0.39) S1PR1ALDH1A1NPSR1USP2LMNA
SCHEMBL6636068 0.81 CNR2 (0.42) S1PR1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8028279 0.78 F2 (0.59) BRPF1SMARCA2F2PKMBRD1
SCHEMBL6634209 0.78 KMT2A (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8145525 0.78 F2 (0.52) BRPF1SMARCA2F2PKMBRD1
SCHEMBL8026521 0.77 F2 (0.56) BRPF1SMARCA2F2PKMBRD1
SCHEMBL6635525 0.77 AR (0.48) BRPF1SMARCA2F2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed
EP-1100795-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2001-05-23 EP disclosed
US-6121308-A INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE BOEHRINGER INGELHEIM KG (DE) 2000-09-19 US disclosed
WO-2000008014-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-02-17 WO disclosed