SCHEMBL14393885

SCHEMBL14393885

CN1CC[N+](C)=C1SCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 6/20 0.38
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ USP2 O75604 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ APOBEC3G Q9HC16 3/20 0.33
▸ APOBEC3A P31941 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ RAD52 P43351 1/20 0.30
▸ TNNI3 P19429 1/20 0.30
▸ TNNT2 P45379 1/20 0.30
▸ TNNC1 P63316 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
SCHEMBL14393553 0.81 MEN1 (0.43) CHATMEN1KMT2ARAB9ANPC1
SCHEMBL14393858 0.80 CHAT (0.40) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393544 0.79 CHAT (0.43) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393887 0.77 MEN1 (0.39) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393554 0.76 CHAT (0.40) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393857 0.76 CHAT (0.41) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393880 0.75 CHAT (0.53) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393886 0.75 INSR (0.42) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393877 0.75 CHAT (0.45) CHATMEN1KMT2AUSP2RAB9A
SCHEMBL14393549 0.74 RAB9A (0.39) MEN1KMT2ARAB9ANPC1LMNA

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-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 — — WO disclosed
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