SCHEMBL7484346

SCHEMBL7484346

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.44
KCNMA1 Q12791 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.43
LRRK2 Q5S007 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 0.91 GAA (0.50) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5426023 0.91 GAA (0.48) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5161867 0.89 GAA (0.48) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5157611 0.88 MAPT (0.47) GAASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL10676913 0.80 CYP1A2 (0.54) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL5157491 0.78 RECQL (0.48) LMNAMAPTKCNMA1CYP2C9
SCHEMBL28535658 0.77 ALDH1A1 (0.54) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL9468747 0.75 KMT2A (0.82) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
Formic Acid SCHEMBL5157620 0.75 RORB (0.44) LMNAMAPTKCNMA1CYP2C9
SCHEMBL5160106 0.75 POLB (0.56) KMT2AMEN1ALDH1A1MAPTKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1011677-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 2000-06-28 EP 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