SCHEMBL6991015

SCHEMBL6991015

Oc1noc2cccc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
FLT3 P36888 7/20 0.38
AURKB Q96GD4 3/20 0.38
ROCK2 O75116 2/20 0.38
RPS6KA5 O75582 2/20 0.38
RET P07949 2/20 0.38
FGFR1 P11362 2/20 0.38
RPS6KB1 P23443 2/20 0.38
FRK P42685 2/20 0.38
RPS6KA3 P51812 2/20 0.38
MAP4K2 Q12851 2/20 0.38
STK3 Q13188 2/20 0.38
ROCK1 Q13464 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
PLK4 O00444 1/20 0.38
MAP4K4 O95819 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL5510415 0.79 KCNA5 (0.44) KDRFLT3AURKBROCK2RPS6KA5
SCHEMBL31605557 0.76 KDR (0.54) KDRFLT3AURKBROCK2RPS6KA5
SCHEMBL28133259 0.76 LMNA (0.47) KDRFLT3AURKBFGFR1MAP4K2
SCHEMBL8249434 0.76 KDR (0.54) KDRFLT3AURKBROCK2RPS6KA5
SCHEMBL30784448 0.76 KDR (0.38) KDRFLT3AURKBROCK2RPS6KA5
SCHEMBL617995 0.76 TP53 (0.41) KDRFLT3AURKBROCK2RPS6KA5
Hydrochloric Acid SCHEMBL5050322 0.74 KDR (0.53) KDRFLT3AURKBROCK2RPS6KA5
SCHEMBL28256931 0.73 NR4A2 (0.46) ALDH1A1
SCHEMBL5506979 0.72 KCNA5 (0.47) TP53HIF1ATSHRMEN1KMT2A
SCHEMBL27378984 0.72 GABRA1 (0.45) KDRFLT3AURKBROCK2RPS6KA5

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-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed