SCHEMBL13926702

SCHEMBL13926702

C/N=C(\C=C\c1cn(CCSSCCn2cc(/C=C/c3n(C)c4ccccc4[n+]3C)c3ccccc32)c2ccccc12)N(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.34
▸ KMT2A Q03164 7/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ USP2 O75604 3/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SRC P12931 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL13926329 0.82 MEN1 (0.33) MEN1KMT2AUSP2SRCAPOBEC3A
SCHEMBL13926648 0.73 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13926451 0.69 ADRB2 (0.40) MEN1KMT2APTGDR2NPC1RAB9A
SCHEMBL3834687 0.64 RAB9A (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3834682 0.64 RAB9A (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15624209 0.63 APP (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15624210 0.61 APP (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13926456 0.60 MEN1 (0.53) MEN1KMT2APTGDR2NPC1RAB9A
SCHEMBL22743691 0.60 CHAT (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13133372 0.60 RAB9A (0.57) MEN1KMT2ANPC1RAB9AMAPT

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-2009037325-A2 THIOL/DISULFIDE INDOLE-DERIVED, STYRYL DYE, DYE COMPOSITION COMPRISING SAID DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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