SCHEMBL20004335

SCHEMBL20004335

C/C(=C\C=C(/C)C(C)C)COCc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
MAOB P27338 11/20 0.41
MAOA P21397 3/20 0.40
SCN9A Q15858 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
AR P10275 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL28344411 0.71 IDO1 (0.69) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL13676864 0.70 IDO1 (0.55) IDO1AGXTMAOBMAOASCN9A
SCHEMBL360528 0.69 NR4A2 (0.55) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL16018344 0.68 IDO1 (0.60) IDO1AGXTMAOBHCAR2
SCHEMBL10294624 0.68 IDO1 (0.60) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL22537516 0.67 IDO1 (0.50) IDO1AGXTMAOBMAOASCN9A
SCHEMBL20004351 0.67 IDO1 (0.50) IDO1AGXTMAOBMAOASCN9A
SCHEMBL21518127 0.67 IDO1 (0.58) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL10314838 0.67 IDO1 (0.58) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL3254928 0.67 MAOB (0.51) IDO1AGXTMAOBMAOAHCAR2

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
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed