SCHEMBL6986448

SCHEMBL6986448

NCCON(F)C(=O)c1noc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 16/20 0.43
RAPGEF3 O95398 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6995937 0.85 HIF1A (0.45) HIF1A
SCHEMBL6989463 0.85 HIF1A (0.43) HIF1ARAPGEF3
SCHEMBL6991003 0.75 HIF1A (0.56) HIF1ATP53SMN1; SMN2
SCHEMBL6988531 0.73 HIF1A (0.44) HIF1ATP53SMN1; SMN2
SCHEMBL6987951 0.72 HIF1A (0.41) HIF1ARAPGEF3TP53SMN1; SMN2
SCHEMBL2907438 0.72 HIF1A (0.58) HIF1A
SCHEMBL29580724 0.72 HIF1A (0.58) HIF1A
SCHEMBL29581929 0.71 HIF1A (0.56) HIF1A
SCHEMBL6524520 0.70 HIF1A (0.51) HIF1ATP53SMN1; SMN2
SCHEMBL6990363 0.69 FAAH (0.40) HIF1ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
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
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed