SCHEMBL13839776

SCHEMBL13839776

CN1c2ccccc2N(CC(=O)NCCSSCCNC(=O)C[n+]2c(/C=C/c3ccc(NCCO)cc3)n(C)c3ccccc32)C1/C=C/c1ccc(NCCO)cc1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL13839757 0.83 — —
SCHEMBL13294088 0.72 RORC (0.32) —
SCHEMBL13926079 0.69 KDM4E (0.37) KDM4ESMN1; SMN2HSD17B10
SCHEMBL13926102 0.69 KMT2A (0.40) KDM4ESMN1; SMN2HSD17B10
SCHEMBL13839746 0.69 — —
SCHEMBL13294092 0.68 NPY1R (0.32) KDM4EHSD17B10
SCHEMBL13839773 0.68 INSR (0.34) KDM4ESMN1; SMN2
SCHEMBL13926705 0.64 MAPT (0.39) KDM4EHSD17B10
SCHEMBL3820056 0.62 ALDH1A1 (0.33) KDM4ESMN1; SMN2HSD17B10
SCHEMBL3820058 0.62 ALDH1A1 (0.33) KDM4ESMN1; SMN2HSD17B10

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-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 — — EP disclosed
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