SCHEMBL6989239

SCHEMBL6989239

COc1cccc2onc(COCCN)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
SGMS2 Q8NHU3 2/20 0.36
SGMS1 Q86VZ5 1/20 0.36
HTR2A P28223 1/20 0.35
MAOA P21397 1/20 0.35
NQO1 P15559 1/20 0.35
APLNR P35414 1/20 0.34
EDNRA P25101 1/20 0.33
ESR1 P03372 1/20 0.33
KDM5A P29375 1/20 0.33
ESR2 Q92731 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6989247 0.80 CA12 (0.32) CA12CA1CA2LMNACA3
SCHEMBL6988535 0.79 POLB (0.41) ALDH1A1TP53HSD17B10KMT2ALMNA
SCHEMBL6990277 0.78 KCNA5 (0.43) KCNA5SGMS2SGMS1HTR2AMAOA
SCHEMBL6997381 0.77 SGMS2 (0.36) SGMS2CA12CA1CA2LMNA
Hydrochloric Acid SCHEMBL6994636 0.77 KCNA5 (0.43) KCNA5SGMS2SGMS1HTR2AMAOA
SCHEMBL6989879 0.74 LMNA (0.55) ESR1ESR2MAPTALDH1A1KDM4E
SCHEMBL1781983 0.71 KDR (0.50) KCNA5MAOAEDNRAMAPTALDH1A1
SCHEMBL6989180 0.71 KCNA5 (0.43) KCNA5SGMS2SGMS1HTR2AMAOA
Hydrochloric Acid SCHEMBL11794859 0.71 LMNA (0.49) KCNA5SGMS2SGMS1MAOANQO1
SCHEMBL8203805 0.70 CA12 (0.35) APLNRKDM4ECYP3A4CA12CA1

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