SCHEMBL13926331

SCHEMBL13926331

Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CCS

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.69
▸ KMT2A Q03164 10/20 0.69
▸ USP2 O75604 6/20 0.69
▸ APOBEC3G Q9HC16 2/20 0.69
▸ GPR55 Q9Y2T6 2/20 0.69
▸ TNNI3 P19429 1/20 0.69
▸ TNNT2 P45379 1/20 0.69
▸ TNNC1 P63316 1/20 0.69
▸ GPR35 Q9HC97 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.62
▸ APOBEC3A P31941 1/20 0.60
▸ RAB9A P51151 5/20 0.48
▸ POLB P06746 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALPG P10696 1/20 0.46

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
SCHEMBL13926077 0.74 MEN1 (0.52) MEN1KMT2AUSP2APOBEC3GGPR55
SCHEMBL13926446 0.73 KMT2A (0.67) MEN1KMT2AUSP2APOBEC3GGPR55
SCHEMBL21913492 0.67 MEN1 (0.47) MEN1KMT2AUSP2APOBEC3GGPR55
SCHEMBL13926104 0.67 MEN1 (0.35) MEN1KMT2AUSP2APOBEC3GGPR55
SCHEMBL3970071 0.66 CYP1A2 (0.58) MEN1KMT2ACYP1A2MAOAMAOB
Iodide SCHEMBL28417346 0.64 CHAT (0.56) MEN1KMT2AUSP2APOBEC3GGPR55
Iodide SCHEMBL28417347 0.64 CHAT (0.56) MEN1KMT2AUSP2APOBEC3GGPR55
SCHEMBL13551428 0.64 APP (0.72) MEN1KMT2AUSP2APOBEC3GGPR55
SCHEMBL3318878 0.64 CHAT (1.00) MEN1KMT2AAPOBEC3GAPOBEC3ARAB9A
SCHEMBL9777568 0.64 CHAT (1.00) MEN1KMT2AAPOBEC3GAPOBEC3ARAB9A

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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