SCHEMBL9683229

SCHEMBL9683229

CSc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PRKCQ Q04759 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AHR P35869 1/20 0.41
TP53 P04637 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
SCHEMBL9681363 0.87 MAPT (0.55) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL14857961 0.79 MAPT (0.43) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL9701292 0.79 MAPT (0.74) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL9681851 0.79 RAB9A (0.51) MAPTKMT2AMEN1RAB9ACYP1A2
SCHEMBL31237109 0.73 MAPT (0.53) MAPTL3MBTL1KMT2AMEN1RECQL
SCHEMBL11641120 0.72 MEN1 (0.58) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL6832051 0.72 POLB (0.50) MAPTL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL16563651 0.70 MAPT (0.48) MAPTL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL9680964 0.70 MAPT (0.42) MAPTKMT2AMEN1RAB9ACYP1A2
SCHEMBL7832980 0.69 NPC1 (0.70) MAPTL3MBTL1TDP1KMT2AMEN1

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed