SCHEMBL13926705

SCHEMBL13926705

COc1ccc2c(c1)c(/C=C/c1n(C)c3ccccc3[n+]1CC(=O)NCCSSCCNC(=O)C[n+]1c(/C=C/c3c(C)n(C)c4ccc(OC)cc34)n(C)c3ccccc31)c(C)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MTNR1A P48039 4/20 0.36
▸ MTNR1B P49286 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35

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 0.89 KDM4E (0.37) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL13926108 0.80 MAPT (0.37) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL13926102 0.75 KMT2A (0.40) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL13294092 0.70 NPY1R (0.32) KDM4EMAPK1MTNR1AMTNR1BALDH1A1
SCHEMBL13294088 0.68 RORC (0.32) —
SCHEMBL18271504 0.66 KDM4E (0.56) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL7601817 0.65 MEN1 (0.64) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL12721222 0.63 FBP1 (0.48) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL5239507 0.59 ALDH1A1 (0.63) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL3933371 0.59 SMN1; SMN2 (0.71) MAPTKMT2AMEN1TDP1L3MBTL1

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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