SCHEMBL5159560

SCHEMBL5159560

Nc1ccc(C(F)(F)F)cc1C(=O)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 10/20 0.55
P2RX1 P51575 7/20 0.54
P2RX4 Q99571 4/20 0.54
P2RX7 Q99572 4/20 0.54
SLC2A1 P11166 1/20 0.54
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
KMT2A Q03164 1/20 0.51
MYLK Q15746 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
CHRNA7 P36544 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NTRK1 P04629 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5157491 0.82 RECQL (0.48) RECQL
SCHEMBL10396396 0.81 RECQL (0.53) TMPRSS4P2RX1P2RX4P2RX7RECQL
SCHEMBL11641986 0.80 TMPRSS4 (0.53) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL14419285 0.79 TMPRSS4 (0.62) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL11817451 0.78 RECQL (0.65) P2RX1RECQLMEN1KMT2AKDM4E
SCHEMBL9540049 0.78 RECQL (0.79) RECQLKMT2ACA1CA2KDM4E
Formic Acid SCHEMBL5157620 0.78 RORB (0.44) RECQL
SCHEMBL6954318 0.77 RECQL (0.73) TMPRSS4RECQLMEN1KMT2ACA1
SCHEMBL14419422 0.77 TMPRSS4 (0.63) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL6966672 0.76 CA1 (0.72) TMPRSS4P2RX1P2RX4P2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 EP disclosed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 EP disclosed
US-6184231-B1 NEUROPROTECTANTS; TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, TRAUMATIC BRAIN INJURY, SEXUAL DYSFUNCTION BRISTOL-MYERS SQUIBB 2001-02-06 US disclosed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 WO disclosed