SCHEMBL12433019

SCHEMBL12433019

CC(=O)SCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.38
MEN1 O00255 6/20 0.38
USP2 O75604 6/20 0.38
KMT2A Q03164 6/20 0.38
APOBEC3A P31941 3/20 0.38
APOBEC3G Q9HC16 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.32

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
SCHEMBL10104158 0.79 CHAT (0.40) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL15334645 0.78 CHAT (0.41) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL14393880 0.75 CHAT (0.53) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL14393877 0.75 CHAT (0.45) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL10104120 0.71 MEN1 (0.46) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL14393544 0.71 CHAT (0.43) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL12432009 0.71 MEN1 (0.45) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL16070303 0.70 CHAT (0.31) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL14392888 0.69 APOBEC3A (0.31) CHATMEN1USP2KMT2AAPOBEC3A
SCHEMBL14393858 0.69 CHAT (0.40) CHATMEN1USP2KMT2AAPOBEC3A

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-2004755-B1 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE AND AN INTERRUPTED ALKYLENE CHAIN, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-08-03 EP disclosed