SCHEMBL6635871

SCHEMBL6635871

CCOC(=O)Cn1c(COc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.48
AR P10275 1/20 0.48
F2 P00734 3/20 0.47
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMARCA2 P51531 1/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.45
NPC1 O15118 1/20 0.45
NLRP3 Q96P20 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6635525 0.94 AR (0.48) BRPF1ARF2MAPTNPSR1
SCHEMBL8029744 0.90 F2 (0.60) BRPF1F2SMARCA2LMNAALDH1A1
SCHEMBL6642117 0.86 F2 (0.47) F2MAPTNPSR1ALDH1A1HTT
SCHEMBL6639192 0.85 MAPT (0.40) BRPF1ARF2MAPTNPSR1
SCHEMBL6635874 0.83 BRPF1 (0.47) BRPF1F2NPSR1SMARCA2LMNA
SCHEMBL8145525 0.83 F2 (0.52) BRPF1ARF2SMARCA2ALDH1A1
SCHEMBL8101752 0.83 GLO1 (0.43) BRPF1ARLMNAALDH1A1HTT
SCHEMBL6635781 0.83 MAPT (0.42) BRPF1MAPTNPSR1LMNAALDH1A1
SCHEMBL8026521 0.82 F2 (0.56) BRPF1F2NPSR1SMARCA2LMNA
SCHEMBL8028279 0.82 F2 (0.59) BRPF1F2SMARCA2LMNAALDH1A1

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