SCHEMBL8377362

SCHEMBL8377362

CC(C)(C)ON(C=O)CCOc1noc(-c2ccccc2)c1I

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL8375523 0.88 HRH3 (0.33) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8378864 0.87 S1PR1 (0.32) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8380071 0.87 TRPV1 (0.32) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8377404 0.87 PTPN1 (0.30) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8380040 0.87 MEN1 (0.32) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8376537 0.86 PPARG (0.30)
SCHEMBL8375562 0.85 PTGS1 (0.31) PTGS1
SCHEMBL8375766 0.85 TSHR (0.31)
SCHEMBL8376486 0.85 PTGS1 (0.38) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8377381 0.84 PPARA (0.36)

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 2 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
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed