SCHEMBL5756055

SCHEMBL5756055

COc1ccc(Cl)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.66
LMNA P02545 2/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 2/20 0.54
MAPK8 P45983 1/20 0.54
MAPK10 P53779 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL8371719 0.87 MAPT (0.60) PPARALMNAMEN1KMT2AALDH1A1
SCHEMBL5757229 0.83 MAPT (0.65) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL11704176 0.82 MEN1 (0.65) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3952798 0.80 PPARA (0.76) PPARALMNAMAPK8MAPK10
SCHEMBL3942737 0.79 PPARA (1.00) PPARA
SCHEMBL3942730 0.79 PPARA (1.00) PPARA
SCHEMBL1581301 0.79 EPHX2 (0.61) PPARALMNAMEN1KMT2AALDH1A1
SCHEMBL2011023 0.79 MEN1 (1.00) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7943968 0.79 PPARA (0.63) PPARALMNAMEN1KMT2AGAA
SCHEMBL20921388 0.78 TMPRSS4 (0.52) PPARALMNAMEN1KMT2AALDH1A1

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-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
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
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP 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
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed