SCHEMBL9681247

SCHEMBL9681247

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TBXA2R P21731 5/20 0.41
DRD2 P14416 1/20 0.41
CCR2 P41597 1/20 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
POLB P06746 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
SCHEMBL9682037 0.88 RXFP1 (0.44) ENPP2MAPTLMNAMEN1KMT2A
SCHEMBL9683183 0.84 MAPT (0.62) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9699244 0.84 ENPP2 (0.64) ENPP2MAPTLMNAMEN1KMT2A
SCHEMBL9699166 0.77 TBXA2R (0.72) TBXA2R
SCHEMBL9683089 0.74 TBXA2R (0.73) TBXA2R
SCHEMBL9681424 0.72 TBXA2R (0.59) MAPTTBXA2RDRD2TP53POLB
SCHEMBL9700220 0.72 MAPT (0.56) ENPP2MAPTLMNAMEN1KMT2A
SCHEMBL9681986 0.72 NPSR1 (0.50) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL20715514 0.72 NPSR1 (0.45) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9699122 0.72 TP53 (0.58) MAPTLMNAMEN1KMT2ANPSR1

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