SCHEMBL5067726

SCHEMBL5067726

CS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc2sc(-c3ccc(C=O)cc3)[n+](C)c2c1.Cc1ccc2sc(-c3ccc(C=O)cc3)[n+](C)c2c1.Cc1ccc2sc(-c3ccc(C=O)cc3)[n+](C)c2c1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.40
▸ SNCA P37840 2/20 0.40
▸ TNF P01375 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ PTGS2 P35354 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ THRB P10828 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ PKM P14618 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ INSR P06213 1/20 0.35

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
SCHEMBL3214133 0.98 APP (0.41) APPSNCATNFNOD1MEN1
SCHEMBL3643981 0.97 APP (0.42) APPSNCATNFNOD1MEN1
SCHEMBL5716206 0.93 APP (0.38) APPSNCATNFNOD1MEN1
SCHEMBL7049507 0.88 SMN1; SMN2 (0.45) APPSNCATNFNOD1MEN1
SCHEMBL4625707 0.84 SNCA (0.50) APPSNCATNFNOD1MEN1
SCHEMBL28755569 0.80 INSR (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3217539 0.79 — —
SCHEMBL7050705 0.74 ALDH1A1 (0.47) APPSNCATNFNOD1MEN1
SCHEMBL2028552 0.74 SNCA (0.41) APPSNCATNFNOD1MEN1
SCHEMBL7049508 0.72 APP (0.33) APPSNCATNFNOD1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
EP-1875892-A2 Brightening and/or dyeing agent containing pyrazoles HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-09 — — EP disclosed
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