SCHEMBL5755340

SCHEMBL5755340

Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.40
TRAP1 Q12931 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
CTSS P25774 2/20 0.35
ARF6 P62330 1/20 0.35
HDAC1 Q13547 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
RAB9A P51151 1/20 0.34
TYMP P19971 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL7954470 0.85 TNKS (0.39) TRAP1HSP90AA1HSP90B1TNKSTNKS2
SCHEMBL5754313 0.85 MEN1 (0.37) COMTTRAP1HSP90B1ARF6RAB9A
SCHEMBL5754718 0.84 COMT (0.42) COMTTNKSPARP1TNKS2CTSS
SCHEMBL5753883 0.80 KMT2A (0.41) TRAP1PARP1HDAC1GABRPGABRD
SCHEMBL7950750 0.73 NLRP3 (0.41) TNKSTNKS2CTSSRAB9A
SCHEMBL27410045 0.71 ALOX5AP (0.33) TRAP1HSP90AA1HSP90B1GABRPGABRD
SCHEMBL7954578 0.70 NPC1 (0.35) DYRK1ATYMP
SCHEMBL8387754 0.69 AVPR2 (0.40) PTGDR2
SCHEMBL5754955 0.68 COMT (0.44) COMTHSP90AA1TNKSPARP1TNKS2
SCHEMBL7944372 0.66 HSP90AA1 (0.50) COMTHSP90AA1TNKSPARP1TNKS2

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 9 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
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
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