SCHEMBL13963428

SCHEMBL13963428

CC1(C)c2cc(C(=O)NCCSSCCNC(=O)c3ccc4c(c3)C(C)(C)C3(/C=C/c5ccc(N(CCO)CCO)cc5)OCCN43)ccc2N2CCOC21/C=C/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.32
▸ LMNA P02545 6/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL13963650 0.92 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963047 0.90 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963655 0.89 — —
SCHEMBL13963406 0.88 NAMPT (0.38) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963637 0.88 POLB (0.32) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963347 0.87 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963346 0.86 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963423 0.86 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963373 0.85 ALDH1A1 (0.34) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13963654 0.83 HDAC3 (0.32) HDAC3HDAC4HDAC1HDAC2HDAC8

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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