SCHEMBL9683183

SCHEMBL9683183

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TBXA2R P21731 4/20 0.58
DRD2 P14416 2/20 0.58
AGTR1 P30556 3/20 0.56
AGTR2 P50052 3/20 0.56
SMN1; SMN2 Q16637 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
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
ADRA2B P18089 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
SCHEMBL9681424 0.87 TBXA2R (0.59) MAPTTBXA2RDRD2AGTR1AGTR2
SCHEMBL9699122 0.86 TP53 (0.58) MAPTTBXA2RDRD2AGTR1AGTR2
SCHEMBL9699166 0.85 TBXA2R (0.72) TBXA2RAGTR1AGTR2PPARG
SCHEMBL9681247 0.84 ENPP2 (0.46) MAPTTBXA2RDRD2LMNAPDE4D
SCHEMBL9699244 0.84 ENPP2 (0.64) MAPTTBXA2RLMNATP53MEN1
SCHEMBL9682881 0.79 TBXA2R (0.69) TBXA2RAGTR1AGTR2PPARG
SCHEMBL13186949 0.76 HIF1A (0.67) MAPTTBXA2RDRD2HIF1ATDP1
Clemizole SCHEMBL19976083 0.76 HIF1A (0.80) MAPTHIF1ATDP1NR1I2ABCB11
Hydrochloric Acid SCHEMBL29205453 0.75 HIF1A (0.64) MAPTTBXA2RDRD2SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL30282000 0.75 HIF1A (0.64) MAPTTBXA2RDRD2SMN1; SMN2HIF1A

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