SCHEMBL6545382

SCHEMBL6545382

O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2cc(Br)ccc2O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.53
CDK5 Q00535 5/20 0.52
CDK5R1 Q15078 5/20 0.52
PARP1 P09874 2/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CDK1 P06493 3/20 0.48
GSK3B P49841 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GSK3A P49840 1/20 0.44
CDK2 P24941 3/20 0.43
CCNE1 P24864 2/20 0.43
FLT3 P36888 2/20 0.43
IKBKB O14920 1/20 0.43

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
SCHEMBL6545662 0.86 GSK3B (0.49) CDK5CDK5R1CA12CA9CDK1
SCHEMBL6545441 0.78 GSK3B (0.60) CDK5GSK3BGSK3ACDK2IKBKB
SCHEMBL6545356 0.78 CYP2C9 (0.56) CDK5CDK5R1CDK1GSK3BCCNB1
SCHEMBL8479093 0.75 CDK2 (0.52) FASNCDK5CDK5R1PARP1CA12
SCHEMBL20920125 0.74 GABRA1 (0.59) CDK5CDK5R1PARP1CA12CA9
SCHEMBL21828647 0.73 CTSV (0.70) CDK5CDK5R1PARP1CA12CA9
SCHEMBL9389021 0.72 PARP1 (0.60) FASNPARP1CA12CA9CDK1
SCHEMBL8895896 0.72 GRIN2D (0.66) FASNPARP1CA12CA9GRIA1
SCHEMBL8896143 0.71 GRIN2D (0.64) FASNCDK5CDK5R1GSK3BGSK3A
SCHEMBL6545953 0.71 BIRC5 (0.46) CDK5CDK5R1CA12CA9CDK1

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 6 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
EP-0942723-A4 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2002-05-15 EP claimed
EP-0942723-A1 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-09-22 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
WO-1998023273-A1 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-04 WO claimed