SCHEMBL21393781

SCHEMBL21393781

C=Nc1cnn(C)c1C=O

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BLM P54132 1/20 0.30
POLB P06746 1/20 0.30
HIF1A Q16665 1/20 0.30
PLK1 P53350 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PLK3 Q9H4B4 1/20 0.30

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
SCHEMBL2516619 0.71
SCHEMBL17895992 0.71 SMN1; SMN2 (0.33) KDM4EALDH1A1POLBHIF1A
SCHEMBL24962376 0.69
SCHEMBL568791 0.69
SCHEMBL16322235 0.69
SCHEMBL14937452 0.69
SCHEMBL21397739 0.69 POLB (0.33) KDM4EALDH1A1POLBHIF1A
SCHEMBL11967064 0.68 HIF1A (0.32) KDM4EALDH1A1HIF1A
SCHEMBL21030220 0.68 MAPT (0.35) KDM4EALDH1A1BLMPOLB
SCHEMBL17895792 0.67 SMN1; SMN2 (0.33) KDM4EALDH1A1POLBHIF1A

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed