SCHEMBL21401412

SCHEMBL21401412

C#Cc1ccccc1CNC=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL515077 0.81 ADH1B (0.47) ADH1BADH1CADH1AADH7TSHR
SCHEMBL30595834 0.80 ADH1B (0.62) ADH1BADH1CADH1AADH7TSHR
SCHEMBL8763191 0.80 ADH1B (0.62) ADH1BADH1CADH1AADH7TSHR
SCHEMBL5542317 0.75 ADH1B (0.52) ADH1BADH1CADH1AADH7TSHR
SCHEMBL514207 0.75 NPC1 (0.55) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL23599602 0.75 CYP1A1 (0.30)
SCHEMBL8763256 0.74 ADH1B (0.56) ADH1BADH1CADH1AADH7TSHR
SCHEMBL8379179 0.72 ADH1B (0.54) ADH1BADH1CADH1AADH7TSHR
SCHEMBL5546697 0.72 ADH1B (0.54) ADH1BADH1CADH1AADH7TSHR
SCHEMBL4953056 0.71 GABRA1 (0.46) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183523-A1 HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL) GENENTECH, INC. (US) 2019-09-26 WO disclosed