SCHEMBL8375545

SCHEMBL8375545

Oc1noc(-c2ccccc2)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTPN1 P18031 1/20 0.44
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
DUSP3 P51452 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 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
SCHEMBL14132443 0.78 MEN1 (0.73) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL8375701 0.76 PTPN1 (0.44) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL7050224 0.76 ALDH1A1 (0.46) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL6581665 0.76 PTPN1 (0.44) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL8376901 0.76 PTPN1 (0.44) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL18597666 0.73 MEN1 (0.50) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL8375814 0.72 MEN1 (0.42) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL7375744 0.72 NOTUM (0.42) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL8376510 0.72 PTPN1 (0.41) MEN1KMT2APTPN1ALDH1A1IP6K1
SCHEMBL8378821 0.71 S1PR1 (0.41) MEN1KMT2APTPN1ALDH1A1IP6K1

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