SCHEMBL9541940

SCHEMBL9541940

CC(O)(c1ccncc1)c1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
ALOX5AP P20292 1/20 0.45
TBXA2R P21731 2/20 0.45
HTR3A P46098 1/20 0.45
HRH1 P35367 9/20 0.44
CYP2D6 P10635 7/20 0.44
CHRM1 P11229 6/20 0.44
KCNH2 Q12809 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 2/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL20149732 0.84 RAB9A (0.61) RAB9AALOX5APTBXA2RHTR3AHRH1
SCHEMBL23430131 0.77 ALDH1A1 (0.59) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL26350322 0.72 LMNA (0.63) RAB9ALMNAMAPTTP53SMN1; SMN2
SCHEMBL9542071 0.72 ALOX5AP (0.57) RAB9AALOX5APTBXA2RHTR3AHRH1
SCHEMBL7756931 0.70 TNF (0.64) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL3718063 0.70 RAB9A (0.67) RAB9AALOX5APTBXA2RHTR3AHRH1
SCHEMBL7761087 0.70 GALR3 (0.67) RAB9ATBXA2RHRH1CYP2D6KCNH2
SCHEMBL7761652 0.70 TP53 (0.63) RAB9AALOX5APHTR3AHRH1CYP2D6
SCHEMBL20866499 0.70 CYP2C19 (0.56) LMNATP53SMN1; SMN2ALDH1A1
SCHEMBL9537915 0.69 RAB9A (0.65) RAB9AALOX5APTBXA2RHTR3AHRH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993014083-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-22 WO disclosed