SCHEMBL27489605

SCHEMBL27489605

O=CC1OC(c2ccc(C(F)(F)F)cc2F)=NN1Cc1cc(Cl)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 4/20 0.39
P2RX1 P51575 3/20 0.36
CYP2C9 P11712 6/20 0.35
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 4/20 0.34
P2RX7 Q99572 3/20 0.34
CYP2D6 P10635 2/20 0.34
P2RX4 Q99571 2/20 0.34
CYP1A2 P05177 1/20 0.34
BIRC5 O15392 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GCGR P47871 1/20 0.33
CETP P11597 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL27505400 0.90 BIRC5 (0.41) TMPRSS4P2RX1CYP2C9CYP3A4CYP2C19
SCHEMBL27523064 0.87 P2RX1 (0.38) TMPRSS4P2RX1CYP3A4P2RX7P2RX4
SCHEMBL27523776 0.86 CETP (0.40) CYP2C9ALOX5APFEN1CETP
SCHEMBL27413033 0.84 IDO1 (0.40) TMPRSS4P2RX1CYP2C9CYP3A4CYP2C19
SCHEMBL27412369 0.83 PDE3B (0.34) P2RX1GCGR
SCHEMBL27537513 0.77 P2RX1 (0.38) TMPRSS4P2RX1CYP3A4P2RX7P2RX4
SCHEMBL27480024 0.76 P2RX7 (0.38) P2RX7ALOX5APFEN1CETP
SCHEMBL5756140 0.74 TMPRSS4 (0.40) TMPRSS4P2RX1CYP2C9CYP3A4CYP2C19
SCHEMBL27505399 0.73 TMPRSS4 (0.41) TMPRSS4P2RX1CYP2C9CYP3A4CYP2C19
SCHEMBL27421301 0.72 TRPV1 (0.38) CYP2C9CYP2C19ALOX5APFEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN claimed
CN-1116287-C Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2003-07-30 CN disclosed
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN disclosed