SCHEMBL6545356

SCHEMBL6545356

O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Br)ccc2O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
GSK3B P49841 3/20 0.47
CDK5 Q00535 2/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
BIRC5 O15392 1/20 0.46
KDM4E B2RXH2 1/20 0.42
EEF2K O00418 1/20 0.42
PLK4 O00444 1/20 0.42
IKBKB O14920 1/20 0.42
DYRK3 O43781 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL6545953 0.91 BIRC5 (0.46) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL8482450 0.88 CYP2C9 (0.57) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6545662 0.87 GSK3B (0.49) GSK3BCDK5CCNB2CDK1CCNB1
SCHEMBL6544425 0.87 CYP2C9 (0.72) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6545441 0.81 GSK3B (0.60) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6545364 0.79 CYP2C9 (0.62) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6545382 0.78 FASN (0.53) GSK3BCDK5CCNB2CDK1CCNB1
SCHEMBL24095739 0.77 CYP2C9 (0.47) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5415892 0.76 CYP2C9 (0.71) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24095759 0.76 PADI4 (0.55) CYP2C9CYP1A2CYP3A4CYP2C19CYP2D6

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
EP-0942723-B1 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2004-01-21 EP claimed
US-5922735-A CALCIUM-ACTIVATED POTASSIUM CHANNELS AND ARE USEFUL TREATING THE DISORDER RESPONSIVE TO THE OPENING OF THE POTASSIUM CHANNELS SUCH AS ISCHEMIA, CONVULSIONS, ASTHMA, IRRITABLE BOWEL SYNDROME, MIGRAINE, TRAUMATIC BRAIN INJURY BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-13 US claimed
US-5892045-A 4-aryl-3-hydroxyquinolin-2-one derivatives as ion channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-06 US claimed