SCHEMBL20311301

SCHEMBL20311301

C1=Cc2c(n(-c3ccccc3-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cn3)c3ccccc23)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL23950560 0.84 ALDH1A1 (0.36) ALDH1A1
SCHEMBL12856697 0.82 ALDH1A1 (0.41) ALDH1A1
SCHEMBL23188774 0.82 KDM4E (0.37) ALDH1A1
SCHEMBL26481780 0.81 MGLL (0.36) ALDH1A1
SCHEMBL12959043 0.80 KDM4E (0.39) ALDH1A1
SCHEMBL23729322 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL26222516 0.77 MGLL (0.31) ALDH1A1
SCHEMBL22544863 0.77 — —
SCHEMBL22385217 0.76 — —
SCHEMBL21921685 0.76 TSPO (0.33) ALDH1A1

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-2272828-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-06-27 — — EP disclosed
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