SCHEMBL18774306

SCHEMBL18774306

CSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N3CCC(O)CC3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL13327498 0.94 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3823383 0.88 WDR91 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3823380 0.88 WDR91 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL3386424 0.87 WDR91 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15624244 0.86 SMN1; SMN2 (0.35) SMN1; SMN2MAPTLMNAL3MBTL1HTT
SCHEMBL13327514 0.85 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2315089 0.84 PTGS2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2315084 0.84 PTGS2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL560375 0.83 PTGS2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL560376 0.83 PTGS2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
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