SCHEMBL13963364

SCHEMBL13963364

CN(C)c1ccc(/C=C/C23OCCN2c2ccccc2N3CC(=O)NCCSSCCNC(=O)CN2c3ccccc3N3CCOC32/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ GLA P06280 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 4/20 0.33
▸ APP P05067 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL13963359 0.72 PAK1 (0.41) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL13963047 0.69 HDAC3 (0.36) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL13963346 0.67 HDAC3 (0.34) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL13714489 0.66 HDAC1 (0.37) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL10104225 0.64 KDM4A (0.47) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL12311088 0.64 RELA (0.39) MAPTALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL3252641 0.64 RELA (0.39) MAPTALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL3250527 0.64 RELA (0.39) MAPTALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL3248724 0.64 RELA (0.39) MAPTALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL3249450 0.64 RELA (0.39) MAPTALDH1A1KDM4ENPSR1L3MBTL1

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-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 — — WO disclosed
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