SCHEMBL5160106

SCHEMBL5160106

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
TMPRSS4 Q9NRS4 7/20 0.56
P2RX1 P51575 5/20 0.52
P2RX4 Q99571 3/20 0.52
P2RX7 Q99572 3/20 0.52
CHRNA7 P36544 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SLC2A1 P11166 1/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
MYLK Q15746 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
NTRK1 P04629 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45

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
SCHEMBL5157924 0.85 GAA (0.50) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL5161867 0.77 GAA (0.48) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL5159560 0.75 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7CHRNA7
SCHEMBL7484346 0.75 GAA (0.48) MEN1KMT2AALDH1A1MAPTKCNMA1
SCHEMBL5426023 0.74 GAA (0.48) MEN1KMT2AALDH1A1MAPTKCNMA1
SCHEMBL27886044 0.73 RAB9A (0.62) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL30100391 0.73 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7CHRNA7
SCHEMBL18341401 0.73 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7CHRNA7
SCHEMBL5157611 0.73 MAPT (0.47) POLBTMPRSS4ALDH1A1MAPTKCNMA1
SCHEMBL18341193 0.72 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7CHRNA7

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