SCHEMBL7957397

SCHEMBL7957397

COc1ccc(Cl)cc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
TAS1R2 Q8TE23 1/20 0.62
MAPK1 P28482 1/20 0.61
MAPT P10636 3/20 0.60
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL5752873 0.89 MAPK1 (0.58) POLBMAPK1MAPTCYP1A2CYP3A4
SCHEMBL5757229 0.88 MAPT (0.65) MAPK1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL8372525 0.82 NTRK1 (0.71) POLBMAPTKDM4ELMNAKMT2A
SCHEMBL10889701 0.82 MAPK1 (0.72) POLBMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL8371719 0.81 MAPT (0.60) POLBMAPTTP53GAALMNA
SCHEMBL28674513 0.80 POLB (0.64) POLBTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL20577741 0.80 POLB (0.77) POLBTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL29448749 0.80 RXFP1 (0.53) POLBTAS1R3TAS1R1TAS1R2CYP1A2
SCHEMBL5789931 0.79 MAPT (0.74) POLBMAPK1MAPTCYP1A2CYP3A4
SCHEMBL14419284 0.79 POLB (0.51) POLBTAS1R3TAS1R1TAS1R2CYP1A2

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-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed