SCHEMBL9681366

SCHEMBL9681366

CC(C)(CC#N)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.67
GALR3 O60755 1/20 0.54
NR2F2 P24468 1/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KCNH2 Q12809 2/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
ESR1 P03372 1/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL9681794 0.81 TBXA2R (1.00) TBXA2R
SCHEMBL9681834 0.80 TBXA2R (0.82) TBXA2RGALR3NR2F2RAB9AMAPT
SCHEMBL8366844 0.77 RAB9A (0.76) TBXA2RGALR3NR2F2RAB9AHIF1A
SCHEMBL9683131 0.76 TBXA2R (0.76) TBXA2RGALR3NR2F2RAB9ANOD2
SCHEMBL8022214 0.76 LMNA (0.79) TBXA2RGALR3NR2F2RAB9AHIF1A
SCHEMBL95065 0.76 MEN1 (0.79) TBXA2RGALR3NR2F2RAB9AHIF1A
SCHEMBL13186949 0.74 HIF1A (0.67) TBXA2RGALR3NR2F2RAB9AHIF1A
SCHEMBL9681456 0.74 TBXA2R (0.71) TBXA2R
SCHEMBL13508736 0.74 ALOX5AP (0.66) TBXA2RGALR3NR2F2RAB9AHIF1A
SCHEMBL13508629 0.74 RAB9A (0.63) TBXA2RGALR3NR2F2RAB9AHIF1A

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