SCHEMBL14393554

SCHEMBL14393554

CN(CCSc1scc[n+]1C)c1ccc(/C=C/c2cc[n+](C)cc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.40
▸ RAB9A P51151 7/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ USP2 O75604 4/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ MITF O75030 1/20 0.33
▸ APP P05067 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ NSD2 O96028 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 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
SCHEMBL14393544 0.83 CHAT (0.43) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393886 0.83 INSR (0.42) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393858 0.80 CHAT (0.40) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393542 0.80 MEN1 (0.46) CHATRAB9AMEN1KMT2ANPC1
SCHEMBL14393857 0.80 CHAT (0.41) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393880 0.78 CHAT (0.53) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393877 0.77 CHAT (0.45) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393885 0.76 CHAT (0.38) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393887 0.76 MEN1 (0.39) CHATRAB9AMEN1KMT2AUSP2
SCHEMBL14393545 0.73 RAB9A (0.40) CHATRAB9AMEN1KMT2ANPC1

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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