SCHEMBL21393639

SCHEMBL21393639

CNc1c(C)nc(C)nc1N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 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
SCHEMBL28321514 0.81 ADORA1 (0.30) HTTSMN1; SMN2LMNA
SCHEMBL21353948 0.77 HTT (0.35) HTTSMN1; SMN2LMNA
SCHEMBL3172280 0.74 ALDH1A1 (0.33)
SCHEMBL21393637 0.74 HEXA (0.32) HTTSMN1; SMN2
SCHEMBL11131428 0.73 ALDH1A1 (0.37)
SCHEMBL1830380 0.69 LMNA (0.40) HTTSMN1; SMN2LMNA
SCHEMBL1396931 0.69 LMNA (0.35) HTTSMN1; SMN2LMNA
SCHEMBL19478935 0.69 NUDT1 (0.35)
SCHEMBL11713959 0.67 ALDH1A1 (0.33) LMNA
SCHEMBL23257898 0.67 LMNA (0.35) LMNA

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