SCHEMBL21393679

SCHEMBL21393679

C=Nc1onc(C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
ERN1 O75460 3/20 0.34

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
SCHEMBL96416 0.73
SCHEMBL13369231 0.70
SCHEMBL9327069 0.70
SCHEMBL12766705 0.70
SCHEMBL9446179 0.65 HCAR2 (0.34) BRD4ERN1
SCHEMBL13890117 0.65 RXFP1 (0.34) BRD4ERN1
SCHEMBL3164751 0.64 BRD4 (0.35) BRD4ERN1
SCHEMBL18597726 0.62 POLB (0.51) BRD4ERN1
SCHEMBL3982046 0.62 ALDH1A1 (0.46) BRD4ERN1
SCHEMBL14840672 0.61 BRD4 (0.39) BRD4ERN1

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