SCHEMBL8377404

SCHEMBL8377404

CC(C)(C)ON(C=O)CCOc1noc(-c2ccccc2)c1Br

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.30
CXCR1 P25024 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL8377362 0.87 MEN1 (0.39) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL8378864 0.87 S1PR1 (0.32) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL8380071 0.87 TRPV1 (0.32) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL8380040 0.87 MEN1 (0.32) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL8376537 0.86 PPARG (0.30)
SCHEMBL8375766 0.85 TSHR (0.31)
SCHEMBL8375562 0.85 PTGS1 (0.31) PTGS1
SCHEMBL8376486 0.85 PTGS1 (0.38) PTPN1KDM4EMEN1ALDH1A1POLB
SCHEMBL8375037 0.84 SQOR (0.31) ALDH1A1

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