SCHEMBL9682400

SCHEMBL9682400

CCOC(=O)C(S)CCc1nccn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 9/20 0.43
HSP90B1 P14625 9/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 0.77 TP53 (0.54) CYP2D6CYP2C19CYP2C9LMNASMN1; SMN2
SCHEMBL9682402 0.70 CYP2D6 (0.45) CYP2D6CYP2C19TSHRHIF1ACYP2C9
SCHEMBL10337098 0.68 TSHR (0.53) CYP2D6CYP2C19TSHRHIF1ACYP2C9
SCHEMBL2949433 0.67 SIGMAR1 (0.51) CYP2D6CYP2C19TSHRHIF1ACYP2C9
SCHEMBL10734461 0.67 KDM4E (0.42) CYP2D6CYP2C19TSHRHIF1ALMNA
SCHEMBL9682037 0.67 RXFP1 (0.44) LMNAMEN1KMT2AMAPK1L3MBTL1
SCHEMBL7015305 0.66 MEN1 (0.52) TSHRLMNAHSP90AA1HSP90B1SMN1; SMN2
SCHEMBL9700220 0.66 MAPT (0.56) LMNAALDH1A1MEN1KMT2A
SCHEMBL9978726 0.66 CYP3A4 (0.61) CYP2D6CYP2C19TSHRCYP2C9CYP3A4
SCHEMBL1514051 0.65 KMT2A (0.46) HIF1AKDM4EALDH1A1MEN1KMT2A

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