SCHEMBL5161867

SCHEMBL5161867

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
KCNMA1 Q12791 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARA Q07869 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSPH1 Q92598 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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 0.92 GAA (0.50) GAASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL7484346 0.89 GAA (0.48) GAASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL5426023 0.88 GAA (0.48) GAASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL5157611 0.87 MAPT (0.47) GAASMN1; SMN2LMNAKDM4EPOLB
SCHEMBL5160106 0.77 POLB (0.56) MEN1KMT2APOLBMAPK1KCNMA1
SCHEMBL5157491 0.76 RECQL (0.48) LMNAPOLBMAPK1KCNMA1CYP2C9
SCHEMBL28535658 0.75 ALDH1A1 (0.54) GAASMN1; SMN2LMNAKDM4EMEN1
Formic Acid SCHEMBL5157620 0.72 RORB (0.44) LMNAPOLBMAPK1KCNMA1CYP2C9
SCHEMBL25555881 0.72 KDM4E (0.68) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL14113130 0.72 MAPT (0.61) GAASMN1; SMN2LMNAPPARACYP1A2

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