SCHEMBL6986374

SCHEMBL6986374

O=C(NO)c1cc(Cl)cnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
CRHR1 P34998 1/20 0.39
HDAC1 Q13547 12/20 0.39
HDAC6 Q9UBN7 12/20 0.39
HDAC3 O15379 11/20 0.39
HDAC2 Q92769 11/20 0.39
MCHR1 Q99705 1/20 0.39
SORT1 Q99523 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27476501 1.00 KDR (0.40) KDRCRHR1HDAC1HDAC6HDAC3
SCHEMBL1036254 0.83 CASP1 (0.45) KDRCRHR1MCHR1
SCHEMBL1035202 0.79 POLB (0.49) CRHR1
SCHEMBL915781 0.78 SMN1; SMN2 (0.48) SORT1L3MBTL1
SCHEMBL29378297 0.78 SMN1; SMN2 (0.48) SORT1L3MBTL1
SCHEMBL29608609 0.78 HCAR2 (0.36) KDRCRHR1MCHR1L3MBTL1
SCHEMBL1160933 0.78 HCAR2 (0.36) KDRCRHR1MCHR1L3MBTL1
SCHEMBL1031100 0.78 CRHR1 (0.60) CRHR1MCHR1
SCHEMBL6774259 0.76 RAB9A (0.61) SORT1L3MBTL1
SCHEMBL9592081 0.76 POLB (0.55) CRHR1L3MBTL1

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