SCHEMBL6990915

SCHEMBL6990915

CC(C)(C)OC(=O)NCCSc1noc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
BRD4 O60885 1/20 0.42
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
SLC29A1 Q99808 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL6996145 0.85 IDO1 (0.46) IDO1BRD4MAPTSMN1; SMN2ALDH1A1
SCHEMBL6988361 0.85 IDO1 (0.49) IDO1LMNACYP1A2MEN1KMT2A
SCHEMBL6987134 0.85 IDO1 (0.49) IDO1BRD4LMNAMEN1KMT2A
SCHEMBL6993230 0.85 IDO1 (0.45) IDO1BRD4LMNAMEN1KMT2A
SCHEMBL6991814 0.84 IDO1 (0.45) IDO1BRD4MAPTNPC1RAB9A
SCHEMBL6989366 0.82 CA12 (0.44) BRD4LMNACYP1A2MEN1KMT2A
SCHEMBL6993057 0.78 IDO1 (0.40) IDO1LMNACYP1A2MEN1KMT2A
SCHEMBL5617931 0.77 IDO1 (0.39) IDO1LMNACYP1A2MEN1KMT2A
SCHEMBL24669238 0.76 MAPT (0.53) IDO1LMNAMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6996241 0.76 IDO1 (0.38) IDO1LMNACYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP 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