SCHEMBL13875519

SCHEMBL13875519

C=CC(/C=C/c1ccc(N(C(O)CCC)C(O)CCC)cc1)=C\C=N\CC(=O)NCCSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N(C(O)CCC)C(O)CCC)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.30
▸ KDM2A Q9Y2K7 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
SCHEMBL18774335 0.90 KDM4A (0.35) KDM4AKDM2A
SCHEMBL16281742 0.85 KDM4A (0.32) KDM4AKDM2A
SCHEMBL16281753 0.84 — —
SCHEMBL19649248 0.81 — —
SCHEMBL13695043 0.81 PTGS2 (0.36) —
SCHEMBL16070446 0.80 — —
SCHEMBL13799703 0.79 — —
SCHEMBL13875544 0.79 HDAC3 (0.30) —
SCHEMBL19649076 0.77 HDAC3 (0.33) —
SCHEMBL13926696 0.77 MEN1 (0.36) —

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-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — EP disclosed
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