SCHEMBL9683115

SCHEMBL9683115

CC(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.63
NOD1 Q9Y239 2/20 0.56
MAPT P10636 3/20 0.56
DRD2 P14416 2/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
NOD2 Q9HC29 1/20 0.55
GALR3 O60755 1/20 0.53
NR2F2 P24468 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
LMNA P02545 1/20 0.53
ESR1 P03372 1/20 0.53
CYP1A2 P05177 1/20 0.53
PGR P06401 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL9683113 0.86 TBXA2R (0.54) TBXA2RNOD1MAPTDRD2KDM4E
SCHEMBL13508736 0.83 ALOX5AP (0.66) TBXA2RNOD1MAPTDRD2NOD2
SCHEMBL13508737 0.78 NOD1 (0.67) TBXA2RNOD1MAPTDRD2KDM4E
SCHEMBL9681794 0.77 TBXA2R (1.00) TBXA2R
Clemizole SCHEMBL19976090 0.77 HIF1A (0.79) MAPTALDH1A1HIF1ATDP1NR1I2
SCHEMBL10443370 0.76 PPARG (0.57) MAPTALDH1A1RAB9ALMNAAGTR1
Clemizole SCHEMBL19976076 0.76 HIF1A (0.77) MAPTALDH1A1HIF1ATDP1NR1I2
SCHEMBL8366844 0.76 RAB9A (0.76) TBXA2RNOD1MAPTDRD2NOD2
SCHEMBL15568414 0.76 MEN1 (0.76) MAPTALDH1A1RAB9ALMNACYP1A2
SCHEMBL13186949 0.76 HIF1A (0.67) TBXA2RNOD1MAPTDRD2ALDH1A1

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 3 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
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed