SCHEMBL7952081

SCHEMBL7952081

COc1cc(NC(C)=O)c(Cl)cc1Cn1nc(-c2ccc3ccccc3c2)oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
FAAH O00519 2/20 0.41
USP2 O75604 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
UTRN P46939 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL5757388 0.89 RAB9A (0.40) RAB9AFAAHUSP2NPSR1GAA
SCHEMBL7950977 0.86 AGER (0.37) RAB9AFAAHUSP2NPSR1GAA
SCHEMBL7956984 0.84 TP53 (0.41) USP2NPSR1GAAMAPK1ALDH1A1
SCHEMBL7944633 0.76 TP53 (0.44) USP2GAAALDH1A1HPGDHSD17B10
SCHEMBL7952239 0.74 TP53 (0.41) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5801962 0.74 ALDH1A1 (0.44) NPSR1GAAMAPK1KDM4EALDH1A1
SCHEMBL5755180 0.72 FAAH (0.38) FAAHNPSR1GAAUTRNSMN1; SMN2
SCHEMBL7950910 0.72 TP53 (0.44) USP2NPSR1GAAMAPK1KDM4E
SCHEMBL7957493 0.72 POLB (0.53) USP2NPSR1MAPK1KDM4EALDH1A1
SCHEMBL10718171 0.66 AGER (0.48) GAAALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed