SCHEMBL27410045

SCHEMBL27410045

Nc1cc(O)c(CN2N=C(c3ccc(C(F)(F)F)cc3)NC2C=O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TRAP1 Q12931 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31

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
SCHEMBL27411545 0.87 RPS6KB1 (0.31)
SCHEMBL27411547 0.85 P2RX1 (0.38) HSP90AA1
SCHEMBL5755340 0.71 COMT (0.40) TRAP1HSP90AA1HSP90B1GABRPGABRD
SCHEMBL5753883 0.69 KMT2A (0.41) TRAP1GABRPGABRDGABRA1GABRB1
SCHEMBL27506557 0.67 ACHE (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27523064 0.65 P2RX1 (0.38) HSP90AA1
SCHEMBL27410741 0.63 PRKCZ (0.31)
SCHEMBL8387754 0.59 AVPR2 (0.40)
SCHEMBL5754313 0.58 MEN1 (0.37) TRAP1HSP90B1
SCHEMBL3908682 0.57 CYP3A4 (0.63) KIF11

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