SCHEMBL5757229

SCHEMBL5757229

COc1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
HDAC1 Q13547 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
KMT2A Q03164 5/20 0.60
CYP1A2 P05177 4/20 0.60
CYP2C19 P33261 4/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP2C9 P11712 3/20 0.60
RAB9A P51151 3/20 0.60
CYP3A4 P08684 2/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 2/20 0.59
MEN1 O00255 2/20 0.58
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57

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 0.91 MAPK1 (0.58) MAPTHDAC1HDAC8HDAC6KMT2A
SCHEMBL5789931 0.89 MAPT (0.74) MAPTHDAC1HDAC8HDAC6KMT2A
SCHEMBL7957397 0.88 POLB (0.72) MAPTHDAC1HDAC8HDAC6KMT2A
SCHEMBL7950901 0.86 SMN1; SMN2 (0.71) MAPTHDAC1HDAC8HDAC6KMT2A
SCHEMBL11256977 0.84 MAPK1 (0.73) MAPTHDAC1HDAC8HDAC6KMT2A
SCHEMBL10889701 0.83 MAPK1 (0.72) HDAC1HDAC8HDAC6KMT2ACYP1A2
SCHEMBL3755964 0.83 MAPT (0.78) MAPTKMT2ACYP1A2CYP2C19KDM4E
Hydrochloric Acid SCHEMBL11264266 0.83 MAPK1 (0.71) MAPTHDAC1HDAC8HDAC6KMT2A
SCHEMBL5756055 0.83 PPARA (0.66) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL5752648 0.83 LMNA (0.51) MAPTHDAC1HDAC8HDAC6KMT2A

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 7 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
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN 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