SCHEMBL7049508

SCHEMBL7049508

C[n+]1c(-c2ccc(C=O)cc2)sc2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.33
▸ SNCA P37840 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ PKM P14618 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL1834879 0.81 MAPT (0.40) MEN1POLBKMT2ARAB9APTGS1
SCHEMBL7049507 0.80 SMN1; SMN2 (0.45) APPSNCATNFNOD1MEN1
SCHEMBL2028552 0.79 SNCA (0.41) APPSNCATNFNOD1MEN1
SCHEMBL7050705 0.78 ALDH1A1 (0.47) APPSNCATNFNOD1MEN1
SCHEMBL7047128 0.74 PTGS1 (0.43) BCHEPTGS1ALDH1A1PKMHPGD
SCHEMBL3643981 0.74 APP (0.42) APPSNCATNFNOD1MEN1
SCHEMBL3214133 0.73 APP (0.41) APPSNCATNFNOD1MEN1
SCHEMBL7044937 0.73 ALDH1A1 (0.39) APPMEN1KMT2ARAB9APTGS1
SCHEMBL2030272 0.72 MAPT (0.47) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL7045638 0.72 RAB9A (0.45) MEN1POLBKMT2ARAB9APTGS1

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-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP disclosed
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