SCHEMBL13926102

SCHEMBL13926102

Cn1cc(/C=C/c2n(C)c3ccccc3[n+]2CC(=O)NCCSSCCNC(=O)C[n+]2c(/C=C/c3cn(C)c4ccccc34)n(C)c3ccccc32)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ IMPDH2 P12268 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL13926079 0.83 KDM4E (0.37) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL13294092 0.76 NPY1R (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13926705 0.75 MAPT (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL13294088 0.73 RORC (0.32) —
SCHEMBL13926108 0.73 MAPT (0.37) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL23046854 0.66 KMT2A (0.69) KMT2AMAPTMEN1NPC1CASP3
SCHEMBL4530484 0.64 MEN1 (0.49) KMT2AMAPTMEN1NPC1CASP3
SCHEMBL4530482 0.64 MEN1 (0.49) KMT2AMAPTMEN1NPC1CASP3
SCHEMBL8494191 0.63 KMT2A (0.73) KMT2AMAPTMEN1NPC1CASP3
SCHEMBL8494188 0.63 KMT2A (0.73) KMT2AMAPTMEN1NPC1CASP3

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
WO-2009037325-A2 THIOL/DISULFIDE INDOLE-DERIVED, STYRYL DYE, DYE COMPOSITION COMPRISING SAID DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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