SCHEMBL6635455

SCHEMBL6635455

N#Cc1ccc(CCc2nc3ccc([N+](=O)[O-])cc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.47
KCNH2 Q12809 2/20 0.47
MAPT P10636 8/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
RAD51 Q06609 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
GRK6 P43250 1/20 0.40
LMNA P02545 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
SCHEMBL6635764 0.91 GRK6 (0.48) KCNJ1KCNH2MAPTNPC1RAB9A
SCHEMBL6638377 0.81 DAGLA (0.49) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6637492 0.79 GRK6 (0.60) KCNJ1KCNH2MAPTNPC1RAB9A
SCHEMBL21815042 0.75 RAB9A (0.51) KCNJ1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29208555 0.74 SMN1; SMN2 (0.56) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4268370 0.74 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11792866 0.74 RAB9A (0.50) KCNJ1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9678220 0.74 CDC25C (0.49) KCNH2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6642027 0.72 GRK6 (0.77) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6635092 0.71 MEN1 (0.51) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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