SCHEMBL6993650

SCHEMBL6993650

Clc1noc2c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 2/20 0.44
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
SSTR4 P31391 5/20 0.40
AHR P35869 3/20 0.40
NR4A2 P43354 2/20 0.40
HIF1A Q16665 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
TTR P02766 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
CYP17A1 P05093 1/20 0.35

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
SCHEMBL20870713 0.79 LMNA (0.47) CYP1A2CYP2A6CHRNA7HTR3ASSTR4
SCHEMBL5508117 0.79 CHRNA7 (0.41) CYP1A2CYP2A6CHRNA7HTR3ASSTR4
SCHEMBL482230 0.79 NR4A2 (0.47) CYP1A2CYP2A6CHRNA7HTR3ASSTR4
SCHEMBL6987832 0.79 SMN1; SMN2 (0.54) CYP1A2CYP2A6SSTR4SMN1; SMN2GAA
SCHEMBL30917304 0.79 ENPP3 (0.33) CYP1A2CYP2A6CHRNA7HTR3ASMN1; SMN2
SCHEMBL17755284 0.76 SSTR4 (0.48) CYP1A2CYP2A6CHRNA7HTR3ASSTR4
SCHEMBL20870709 0.75 SMN1; SMN2 (0.40) CYP1A2CYP2A6CHRNA7HTR3ASSTR4
SCHEMBL6992242 0.75 ALDH1A1 (0.51) CYP1A2CYP2A6HIF1ASMN1; SMN2
SCHEMBL31560828 0.71 SSTR4 (0.53) SSTR4HIF1ATTRSMN1; SMN2GAA
SCHEMBL11291731 0.71 TP53 (0.53) CHRNA7HTR3AHIF1ATP53SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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