SCHEMBL27411547

SCHEMBL27411547

O=CC1NC(c2ccc(C(F)(F)F)cc2)=NN1Cc1cc(Cl)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.38
TMPRSS4 Q9NRS4 4/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
SLC22A1 O15245 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HSPD1 P10809 1/20 0.35
HSPA5 P11021 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL27410045 0.85 ALOX5AP (0.33) HSP90AA1
SCHEMBL27523064 0.80 P2RX1 (0.38) P2RX1TMPRSS4P2RX4P2RX7HIF1A
SCHEMBL27537513 0.73 P2RX1 (0.38) P2RX1TMPRSS4P2RX4P2RX7HIF1A
SCHEMBL27411545 0.71 RPS6KB1 (0.31) MEN1HTTKMT2A
SCHEMBL27505400 0.71 BIRC5 (0.41) P2RX1TMPRSS4P2RX4P2RX7CYP3A4
SCHEMBL27489605 0.71 TMPRSS4 (0.39) P2RX1TMPRSS4P2RX4P2RX7CYP3A4
SCHEMBL5754718 0.69 COMT (0.42) P2RX1TMPRSS4P2RX4P2RX7CYP3A4
SCHEMBL27412369 0.69 PDE3B (0.34) P2RX1
SCHEMBL6130145 0.68 P2RX1 (0.41) P2RX1TMPRSS4P2RX4P2RX7HIF1A
SCHEMBL5752911 0.67 KMT2A (0.41) P2RX1TMPRSS4P2RX4P2RX7KMT2A

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