SCHEMBL6633366

SCHEMBL6633366

N#Cc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
NPC1 O15118 5/20 0.48
PKM P14618 1/20 0.48
CYP19A1 P11511 2/20 0.45
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.42
RIPK1 Q13546 1/20 0.42
LMNA P02545 1/20 0.42
ACP1 P24666 1/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 3/20 0.39
EPHX2 P34913 3/20 0.39
MEN1 O00255 2/20 0.39
CLK1 P49759 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCD O00767 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
SCHEMBL8026684 0.84 RIPK1 (0.44) MAPTCYP19A1SMN1; SMN2MAPK1KMT2A
SCHEMBL7545039 0.81 NPC1 (0.56) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6636319 0.80 CYP3A4 (0.52) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7544788 0.78 NPC1 (0.68) MAPTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL27903689 0.76 PTGER4 (0.55) MAPTSMN1; SMN2KMT2ALMNAACP1
SCHEMBL6640374 0.75 KCNJ1 (0.53) MAPTNPC1PKMCYP19A1RAB9A
SCHEMBL9335454 0.74 PTGER4 (0.53) MAPTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL9642062 0.73 RIPK1 (0.55) MAPTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL201882 0.73 RIPK1 (0.52) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL31215568 0.73 RIPK1 (0.52) 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