SCHEMBL6635525

SCHEMBL6635525

CCOC(=O)Cn1c(COc2ccc(C#N)cc2)nc2ccc(NS(=O)(=O)c3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
BRPF1 P55201 2/20 0.46
SMARCA2 P51531 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5AP P20292 2/20 0.41
F2 P00734 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6635871 0.94 BRPF1 (0.48) ARBRPF1SMARCA2MEN1KMT2A
SCHEMBL8145525 0.90 F2 (0.52) ARBRPF1SMARCA2MEN1KMT2A
SCHEMBL6634416 0.85 MAPT (0.36) ARBRPF1MEN1KMT2AMAPT
SCHEMBL8027014 0.84 F2 (0.48) BRPF1SMARCA2MEN1KMT2AMAPT
SCHEMBL6635529 0.83 BRPF1 (0.45) BRPF1SMARCA2MEN1KMT2AALDH1A1
SCHEMBL8029744 0.83 F2 (0.60) BRPF1SMARCA2ALDH1A1LMNASMN1; SMN2
SCHEMBL8101752 0.83 GLO1 (0.43) ARBRPF1KMT2AALDH1A1LMNA
SCHEMBL6633282 0.83 CACNA1H (0.39) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL6634421 0.80 HCRTR2 (0.39) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6633348 0.80 PPARG (0.48) MEN1KMT2AMAPTALDH1A1HTT

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 2 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
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