SCHEMBL6992645

SCHEMBL6992645

O=C(Cc1cc(Cl)ccc1O)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC22A1 O15245 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
HSPD1 P10809 1/20 0.55
HSPA5 P11021 1/20 0.55
IDO1 P14902 1/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
BLM P54132 1/20 0.55
HSPE1 P61604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL3874153 0.84 HIF1A (0.58) HIF1AMEN1CYP3A4HPGDALOX15
SCHEMBL3141863 0.79 HIF1A (0.61) HIF1AMEN1CYP3A4HPGDALOX15
SCHEMBL6990585 0.79 AMY1A (0.49) MEN1KMT2ALMNAHTTANO1
SCHEMBL27471976 0.79 AMY1A (0.49) MEN1KMT2ALMNAHTTANO1
SCHEMBL11329816 0.78 KDM4E (0.45) MEN1KMT2AMAPTALDH1A1
SCHEMBL3876954 0.78 HIF1A (0.59) HIF1AMEN1CYP3A4HPGDALOX15
SCHEMBL31306792 0.77 EGFR (0.55) HIF1AMEN1CYP3A4HPGDALOX15
SCHEMBL4034721 0.77 EGFR (0.55) HIF1AMEN1CYP3A4HPGDALOX15
SCHEMBL25900077 0.77 ANO1 (0.68) ANO1
SCHEMBL30066869 0.77 ANO1 (0.68) ANO1

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