SCHEMBL9681424

SCHEMBL9681424

CCOC(=O)C(S)CCc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.59
DRD2 P14416 2/20 0.59
MAPT P10636 2/20 0.55
AGTR1 P30556 3/20 0.54
AGTR2 P50052 3/20 0.54
TP53 P04637 1/20 0.54
GALR3 O60755 1/20 0.52
NR2F2 P24468 1/20 0.52
RAB9A P51151 1/20 0.52
PPARG P37231 1/20 0.52
TSPO P30536 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL9699186 0.87 TP53 (0.54) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9683183 0.87 MAPT (0.62) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9581584 0.86 TBXA2R (0.64) TBXA2RAGTR1AGTR2PPARG
SCHEMBL9682037 0.86 RXFP1 (0.44) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9700220 0.85 MAPT (0.56) TBXA2RMAPTTP53ALDH1A1
SCHEMBL9682469 0.81 TBXA2R (0.62) TBXA2RAGTR1AGTR2PPARG
SCHEMBL9699171 0.81 AGTR1 (0.59) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9683113 0.78 TBXA2R (0.54) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9777414 0.78 GALR3 (0.50) TBXA2RDRD2TP53GALR3NR2F2
SCHEMBL9683131 0.76 TBXA2R (0.76) TBXA2RDRD2GALR3NR2F2RAB9A

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