SCHEMBL9683004

SCHEMBL9683004

CCOC(=O)CC(C)(CC)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.64
DRD2 P14416 3/20 0.52
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
RAB9A P51151 1/20 0.49
TSPO P30536 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NOD2 Q9HC29 1/20 0.48
MAPT P10636 2/20 0.48
NOD1 Q9Y239 1/20 0.47
TP53 P04637 1/20 0.47
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL9683131 0.90 TBXA2R (0.76) TBXA2RDRD2GALR3NR2F2RAB9A
SCHEMBL9683051 0.89 TBXA2R (0.78) TBXA2RDRD2GALR3NR2F2RAB9A
SCHEMBL9683504 0.88 TBXA2R (0.79) TBXA2RDRD2TSPOKDM4EALDH1A1
SCHEMBL9683313 0.83 TBXA2R (0.64) TBXA2RMAPTTP53AGTR1AGTR2
SCHEMBL9681793 0.83 TBXA2R (0.67) TBXA2RMAPTTP53AGTR1AGTR2
SCHEMBL9683508 0.81 TBXA2R (0.62) TBXA2RRAB9AALDH1A1LMNA
SCHEMBL9682437 0.81 TBXA2R (0.76) TBXA2RGALR3NR2F2RAB9AAGTR1
SCHEMBL9681897 0.80 TBXA2R (0.78) TBXA2RTSPOKDM4EALDH1A1MAPT
SCHEMBL9699144 0.80 TBXA2R (0.76) TBXA2R
SCHEMBL9683248 0.79 TBXA2R (1.00) TBXA2RDRD2TSPOKDM4EALDH1A1

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