SCHEMBL5157611

SCHEMBL5157611

COc1ccc(Cl)cc1C(=O)c1cc(C(F)(F)F)ccc1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KCNMA1 Q12791 2/20 0.46
MPO P05164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.45
TMPRSS4 Q9NRS4 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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 0.89 GAA (0.50) MAPTKCNMA1MPOSMN1; SMN2GAA
SCHEMBL7484346 0.88 GAA (0.48) MAPTKCNMA1SMN1; SMN2GAALMNA
SCHEMBL5161867 0.87 GAA (0.48) MAPTKCNMA1SMN1; SMN2GAALMNA
SCHEMBL5426023 0.87 GAA (0.48) MAPTKCNMA1SMN1; SMN2GAALMNA
SCHEMBL5157491 0.81 RECQL (0.48) MAPTKCNMA1LMNACYP2C9POLB
SCHEMBL27424506 0.81 MAPT (0.56) MAPTSMN1; SMN2GAALMNACYP1A2
SCHEMBL4113210 0.81 GAA (0.60) MAPTKCNMA1SMN1; SMN2GAALMNA
SCHEMBL20357363 0.77 MAPT (0.58) MAPTSMN1; SMN2LMNACYP1A2CYP3A4
Formic Acid SCHEMBL5157620 0.77 RORB (0.44) MAPTKCNMA1LMNACYP2C9POLB
SCHEMBL14113130 0.77 MAPT (0.61) MAPTSMN1; SMN2GAALMNATMPRSS4

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 9 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-1011677-A4 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2002-03-20 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
EP-1011677-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 2000-06-28 EP 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
US-5972961-A ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES; SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-26 US disclosed
WO-1999009983-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed