SCHEMBL6545953

SCHEMBL6545953

O=c1[nH]c2cc(C(F)(F)F)ccc2c(-c2cc(Br)ccc2O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.46
CYP2C9 P11712 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NFKB1 P19838 2/20 0.42
JUN P05412 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNMA1 Q12791 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
SCHEMBL6545356 0.91 CYP2C9 (0.56) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6545364 0.86 CYP2C9 (0.62) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6545662 0.79 GSK3B (0.49) CA12CA9MAPTMEN1KMT2A
SCHEMBL8482450 0.79 CYP2C9 (0.57) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6544425 0.77 CYP2C9 (0.72) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL14969141 0.75 CA12 (0.51) CYP2C9CYP1A2CYP3A4CYP2C19CA12
SCHEMBL8480429 0.74 CYP2C9 (0.62) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6545441 0.72 GSK3B (0.60) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL6546279 0.71 EEF2K (0.71) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3275049 0.71 CYP2C9 (0.86) BIRC5CYP2C9CYP1A2CYP3A4CYP2C19

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