SCHEMBL20922304

SCHEMBL20922304

C=Cc1ccc(NC/C=C/C=C\CC)cc1C=C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.31

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
SCHEMBL23128488 0.71 MAPT (0.40) —
SCHEMBL23432350 0.68 EGFR (0.40) —
SCHEMBL20076486 0.67 ALDH1A1 (0.42) —
SCHEMBL7796081 0.66 ALDH1A1 (0.32) —
SCHEMBL20387736 0.62 ALDH1A1 (0.40) —
SCHEMBL3972895 0.60 TRPA1 (0.41) —
SCHEMBL26759122 0.60 NFE2L2 (0.34) —
SCHEMBL982304 0.59 ALDH1A1 (0.41) —
SCHEMBL12763791 0.59 ALDH1A1 (0.43) —
SCHEMBL982307 0.59 ALDH1A1 (0.41) —

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
EP-3327013-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2019-04-24 — — EP disclosed
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