SCHEMBL21393694

SCHEMBL21393694

C=Nc1ccc(=O)n(C)c1C=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
CA9 Q16790 1/20 0.32
KAT2B Q92831 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL31666972 0.71 SMN1; SMN2 (0.36) CA12BRD4BRPF1CA9KAT2B
SCHEMBL21393781 0.64 KDM4E (0.30)
SCHEMBL31667098 0.62 BRPF1 (0.34) CA12BRD4BRPF1CA9KAT2B
SCHEMBL13376898 0.60 BRPF1 (0.33) CA12BRD4BRPF1CA9KAT2B
SCHEMBL21620866 0.59 BRPF1 (0.35) CA12BRD4BRPF1CA9KAT2B
SCHEMBL13560811 0.58 BRPF1 (0.58) CA12BRD4BRPF1CA9KAT2B
SCHEMBL17821042 0.57 TRIM24 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL21393358 0.57 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL21393396 0.57
SCHEMBL17950685 0.55 LMNA (0.55) CA12CA9SMN1; SMN2

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