SCHEMBL15624250

SCHEMBL15624250

CCSSCC[n+]1c(/C=C/c2ccc(N(C)C)cc2)n(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 9/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ HTT P42858 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ NCOA2 Q15596 2/20 0.42
▸ NCOA1 Q15788 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ RELA Q04206 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4A O75164 2/20 0.39
▸ KDM2A Q9Y2K7 2/20 0.39

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
SCHEMBL13294089 0.96 RELA (0.42) INSRRAB9AHTTMEN1KMT2A
SCHEMBL3835370 0.96 RELA (0.42) INSRRAB9AHTTMEN1KMT2A
Bromide SCHEMBL3297144 0.95 INSR (0.41) INSRRAB9AHTTMEN1KMT2A
SCHEMBL13839773 0.84 INSR (0.34) INSRRAB9AHTTMEN1KMT2A
SCHEMBL13133372 0.75 RAB9A (0.57) INSRRAB9AHTTMEN1KMT2A
SCHEMBL3834682 0.73 RAB9A (0.40) INSRRAB9AHTTMEN1KMT2A
SCHEMBL3834687 0.73 RAB9A (0.40) INSRRAB9AHTTMEN1KMT2A
SCHEMBL19903920 0.72 KDM4A (0.61) INSRRAB9AHTTMEN1KMT2A
SCHEMBL13839763 0.70 INSR (0.39) INSRHTTMEN1KMT2ALMNA
SCHEMBL15624210 0.69 APP (0.47) INSRRAB9AHTTMEN1KMT2A

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-B1 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 OREAL (FR) 2014-03-26 — — EP disclosed
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