SCHEMBL7950977

SCHEMBL7950977

COc1cc(NC(C)=O)c(Cl)cc1Cn1nc(-c2cc(Cl)cc(Cl)c2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
USP2 O75604 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
FAAH O00519 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 3/20 0.34
THRB P10828 1/20 0.34
PTGER1 P34995 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33

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) AGERDRD2DRD4DRD3USP2
SCHEMBL7956984 0.86 TP53 (0.41) USP2NPSR1GAAMAPK1SMN1; SMN2
SCHEMBL7952081 0.86 RAB9A (0.41) DRD2DRD4DRD3USP2NPSR1
SCHEMBL8073611 0.78 NLRP3 (0.42) FAAHPTGER1MGLL
SCHEMBL7944633 0.76 TP53 (0.44) USP2GAASMN1; SMN2MAPTKMT2A
SCHEMBL7952239 0.75 TP53 (0.41) GAASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL7950910 0.72 TP53 (0.44) USP2NPSR1GAAMAPK1SMN1; SMN2
SCHEMBL7957493 0.72 POLB (0.53) USP2NPSR1MAPK1SMN1; SMN2MAPT
SCHEMBL5755180 0.70 FAAH (0.38) NPSR1GAAFAAHSMN1; SMN2MAPT
SCHEMBL10718171 0.70 AGER (0.48) AGERGAASMN1; SMN2MAPTHTT

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