SCHEMBL21608962

SCHEMBL21608962

C=C(C)/C(N)=C\C(C)=C(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21770846 0.83 TDP1 (0.36) TDP1
SCHEMBL21608992 0.81 TDP1 (0.35) TDP1
SCHEMBL29314475 0.77
SCHEMBL19624327 0.75 TDP1 (0.31) TDP1
SCHEMBL24576957 0.72 TDP1 (0.36) TDP1
SCHEMBL18967001 0.71 ALDH1A1 (0.30)
SCHEMBL21771780 0.70 TDP1 (0.31) TDP1
SCHEMBL21691081 0.69
SCHEMBL13888597 0.69
SCHEMBL20707307 0.69 TDP1 (0.38) TDP1

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-2019243303-A1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2019-12-26 WO disclosed