SCHEMBL13926329

SCHEMBL13926329

C/N=C(\C=C\c1c(C)n(CCSSCCn2c(C)c(/C=C/c3n(C)c4ccccc4[n+]3C)c3ccccc32)c2ccccc12)N(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ USP2 O75604 2/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ SRC P12931 1/20 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
SCHEMBL13926076 0.88 SMN1; SMN2 (0.41) MEN1KMT2AUSP2APOBEC3GAPOBEC3A
SCHEMBL13926702 0.82 MEN1 (0.34) MEN1KMT2AUSP2APOBEC3GAPOBEC3A
SCHEMBL13926695 0.73 SMN1; SMN2 (0.36) MEN1KMT2AUSP2APOBEC3GAPOBEC3A
SCHEMBL13926330 0.69 ADRB2 (0.35) MEN1KMT2AUSP2APOBEC3GAPOBEC3A
SCHEMBL13926701 0.68 MEN1 (0.37) MEN1KMT2AUSP2APOBEC3GAPOBEC3A
SCHEMBL3834682 0.64 RAB9A (0.40) MEN1KMT2A
SCHEMBL3834687 0.64 RAB9A (0.40) MEN1KMT2A
SCHEMBL13926077 0.62 MEN1 (0.52) MEN1KMT2AUSP2APOBEC3GAPOBEC3A
SCHEMBL15624209 0.61 APP (0.51) MEN1KMT2A
SCHEMBL13908709 0.61 MAPT (0.42) MEN1KMT2AUSP2APOBEC3GAPOBEC3A

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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