SCHEMBL9683493

SCHEMBL9683493

CSc1ccc(CNc2ccc(Cl)cc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RAB9A P51151 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
RECQL P46063 1/20 0.59
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 4/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL9683129 0.86 MAPT (0.47) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL9682993 0.82 MEN1 (0.47) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL9682901 0.80 MAPT (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL11569274 0.80 ALDH1A1 (0.49) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL11274390 0.80 PKM (0.52) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9683167 0.79 HTT (0.51) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL9683512 0.77 TP53 (0.46) ALDH1A1TP53TSHR
SCHEMBL9701292 0.77 MAPT (0.74) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL9681851 0.76 RAB9A (0.51) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL13186994 0.75 HDAC8 (0.49) MEN1KMT2ARAB9ACYP1A2CYP2C9

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