SCHEMBL6636068

SCHEMBL6636068

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 5/20 0.41
RAD52 P43351 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6633352 0.93 LMNA (0.40) CNR2KDM4ELMNANPSR1HSD17B10
SCHEMBL6634209 0.85 KMT2A (0.46) CNR2KDM4ELMNATDP1ALDH1A1
SCHEMBL6635791 0.81 CNR2 (0.40) CNR2LMNAS1PR1
SCHEMBL6635874 0.81 BRPF1 (0.47) LMNANPSR1ALDH1A1S1PR1MEN1
SCHEMBL6639700 0.80 IRAK4 (0.44) KDM4ELMNANPSR1ALDH1A1MAPT
SCHEMBL6636062 0.80 MAPT (0.52) CNR2KDM4ERAD52NPSR1HSD17B10
SCHEMBL6639199 0.78 HCRTR2 (0.39) CNR2KDM4ELMNANPSR1HSD17B10
SCHEMBL6635529 0.76 BRPF1 (0.45) NPSR1ALDH1A1S1PR1MEN1KMT2A
SCHEMBL6633288 0.76 PER2 (0.37) CNR2KDM4ELMNANPSR1HSD17B10
SCHEMBL6634425 0.73 HCRTR2 (0.39) KDM4ELMNANPSR1HSD17B10TDP1

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