SCHEMBL13926079

SCHEMBL13926079

Cc1c(/C=C/c2n(C)c3ccccc3[n+]2CC(=O)NCCSSCCNC(=O)C[n+]2c(/C=C/c3c(C)n(C)c4ccccc34)n(C)c3ccccc32)c2ccccc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPT P10636 10/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL13926108 0.90 MAPT (0.37) KDM4ESMN1; SMN2HSD17B10MAPTMEN1
SCHEMBL13926705 0.89 MAPT (0.39) KDM4EHSD17B10MAPTMEN1KMT2A
SCHEMBL13926102 0.83 KMT2A (0.40) KDM4ESMN1; SMN2HSD17B10MAPTMEN1
SCHEMBL13294092 0.74 NPY1R (0.32) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL13294088 0.73 RORC (0.32) —
SCHEMBL13926076 0.70 SMN1; SMN2 (0.41) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL13926696 0.69 MEN1 (0.36) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL3933371 0.68 SMN1; SMN2 (0.71) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL13926446 0.67 KMT2A (0.67) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL13908688 0.63 SMN1; SMN2 (0.63) SMN1; SMN2MAPTMEN1KMT2APOLB

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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