SCHEMBL13839773

SCHEMBL13839773

CN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2CCSSCCN2c3ccccc3N(C)C2/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 10/20 0.34
▸ HTT P42858 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ POLB P06746 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PPARG P37231 2/20 0.34
▸ NCOA2 Q15596 2/20 0.34
▸ NCOA1 Q15788 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ PKM P14618 3/20 0.34
▸ RAD52 P43351 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NSD2 O96028 2/20 0.34

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 0.88 RELA (0.42) INSRHTTRAB9ALMNAMEN1
SCHEMBL3835370 0.88 RELA (0.42) INSRHTTRAB9ALMNAMEN1
Bromide SCHEMBL3297144 0.87 INSR (0.41) INSRHTTRAB9ALMNAMEN1
SCHEMBL15624250 0.84 INSR (0.42) INSRHTTRAB9ALMNAMEN1
SCHEMBL13294085 0.73 GRM5 (0.33) —
SCHEMBL28298755 0.71 PDGFRB (0.56) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13133372 0.69 RAB9A (0.57) INSRHTTRAB9ALMNAMEN1
SCHEMBL3834682 0.67 RAB9A (0.40) INSRHTTRAB9ALMNAMEN1
SCHEMBL3834687 0.67 RAB9A (0.40) INSRHTTRAB9ALMNAMEN1
SCHEMBL14080254 0.63 — —

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
Send feedback