SCHEMBL9682037

SCHEMBL9682037

CCOC(=O)C(S)CCc1nc2ncccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
TBXA2R P21731 4/20 0.43
DRD2 P14416 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40
ENPP2 Q13822 3/20 0.40
TP53 P04637 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL9681247 0.88 ENPP2 (0.46) RXFP1TBXA2RDRD2NPSR1MAPT
SCHEMBL9681424 0.86 TBXA2R (0.59) TBXA2RDRD2MAPTTP53RAB9A
SCHEMBL9700220 0.85 MAPT (0.56) TBXA2RMAPTENPP2TP53KMT2A
SCHEMBL9581584 0.78 TBXA2R (0.64) TBXA2RAGTR1AGTR2
SCHEMBL9771980 0.78 P2RX3 (0.43) NPSR1MAPTPTGDR2KMT2ANPC1
SCHEMBL9683101 0.77 TBXA2R (0.56) TBXA2RTP53
SCHEMBL9699186 0.74 TP53 (0.54) TBXA2RDRD2NPSR1MAPTTP53
SCHEMBL9682469 0.73 TBXA2R (0.62) TBXA2RAGTR1AGTR2
SCHEMBL9699171 0.73 AGTR1 (0.59) TBXA2RDRD2MAPTTP53AGTR1
SCHEMBL9683183 0.72 MAPT (0.62) TBXA2RDRD2NPSR1MAPTTP53

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-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