SCHEMBL8376901

SCHEMBL8376901

Oc1noc(-c2ccccc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
DUSP3 P51452 3/20 0.40
ALDH1A1 P00352 7/20 0.39
IP6K1 Q92551 3/20 0.39
IP6K3 Q96PC2 2/20 0.39
IP6K2 Q9UHH9 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 3/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 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
SCHEMBL6731056 0.79 PTPN1 (0.43) PTPN1ALDH1A1IP6K1IP6K3IP6K2
SCHEMBL6581665 0.76 PTPN1 (0.44) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL8375701 0.76 PTPN1 (0.44) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL7050224 0.76 ALDH1A1 (0.46) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL8375545 0.76 MEN1 (0.49) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL17079305 0.76 PTPN1 (0.67) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL8375814 0.72 MEN1 (0.42) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL8376510 0.72 PTPN1 (0.41) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL7375744 0.72 NOTUM (0.42) PTPN1DUSP3ALDH1A1IP6K1IP6K3
SCHEMBL8378821 0.71 S1PR1 (0.41) PTPN1DUSP3ALDH1A1IP6K1IP6K3

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-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed