SCHEMBL21393786

SCHEMBL21393786

C=CC/C=N\c1nc(NC(C)=O)n(C)c1C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21393820 0.88 GAA (0.30)
SCHEMBL21393598 0.86 PDE7A (0.30)
SCHEMBL21393792 0.81 KDM4E (0.36) POLBKDM4EALDH1A1
SCHEMBL21393793 0.72
SCHEMBL21393791 0.63 GAA (0.30)
SCHEMBL21393891 0.62
SCHEMBL21393696 0.59 KDM4E (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL21393828 0.59
SCHEMBL22135199 0.58 ALDH1A1 (0.35) POLBKDM4EALDH1A1TP53MAPT
SCHEMBL4640488 0.57 TP53 (0.36) POLBKDM4EALDH1A1TP53MAPT

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