SCHEMBL16676902

SCHEMBL16676902

CCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCCC(=O)NCCS)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ KDM4E B2RXH2 8/20 0.44
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ MAPT P10636 7/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ POLB P06746 4/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 5/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RORC P51449 2/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SRC P12931 2/20 0.40
▸ PLK1 P53350 1/20 0.40

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
Hydrochloric Acid SCHEMBL17923507 0.89 BCHE (0.44) BCHEACHEKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL17923508 0.89 BCHE (0.44) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL16183131 0.79 BCHE (0.53) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL16091912 0.77 KDM4E (0.48) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL16676966 0.75 POLB (0.42) KDM4EKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL14392967 0.75 BCHE (0.53) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL16676896 0.75 HDAC4 (0.48) KDM4EKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16676844 0.74 NPC1 (0.42) KDM4EKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16676843 0.74 POLB (0.45) KDM4EMAPTSMN1; SMN2LMNAPOLB
SCHEMBL85408 0.74 KDM4E (0.68) BCHEACHEKDM4EMEN1KMT2A

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-2015059368-A1 METHOD FOR DYEING KERATIN FIBRES USING CATIONIC STYRYL DISULPHIDE DYES, AND COMPOSITION INCLUDING SAID DYES L'OREAL (FR) 2015-04-30 — — WO disclosed
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