SCHEMBL5754955

SCHEMBL5754955

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.44
MARS1 P56192 1/20 0.43
HSP90AA1 P07900 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNMA1 Q12791 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TNKS O95271 3/20 0.40
TNKS2 Q9H2K2 3/20 0.40
PARP1 P09874 2/20 0.40
P2RX1 P51575 1/20 0.39

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
SCHEMBL7953052 0.91 P2RX1 (0.39) COMTMARS1HSP90AA1MEN1CYP1A2
SCHEMBL7944372 0.90 HSP90AA1 (0.50) COMTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL5755561 0.88 MAPT (0.47) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL7944057 0.85 ARF6 (0.37) COMTMARS1HSP90AA1MEN1CYP1A2
SCHEMBL7943951 0.84 TMPRSS4 (0.41) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL7952535 0.83 TNKS (0.43) MARS1MAPTCYP2C9TSHRKCNMA1
SCHEMBL5754043 0.80 HSD11B1 (0.39) HSP90AA1MAPTKMT2ANPSR1PARP1
SCHEMBL7954586 0.79 ATM (0.48) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5754718 0.79 COMT (0.42) COMTMARS1CYP1A2CYP3A4CYP2C9
SCHEMBL7954690 0.75 ALDH1A1 (0.46) COMTMARS1HSP90AA1MEN1CYP1A2

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 14 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 claimed
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 claimed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP claimed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO claimed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20070065883-A1 Molecules that modulate Galphaq activity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2007-03-22 US disclosed
US-20070065883-A1 Molecules that modulate Galphaq activity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2007-03-22 US disclosed
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