SCHEMBL5382993

SCHEMBL5382993

C[n+]1c(-c2ccc(C=O)cc2)sc2ccccc21.Cn1cc[n+](C)c1-c1ccc(C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.33
▸ APP P05067 2/20 0.32
▸ TNF P01375 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL2028552 0.84 SNCA (0.41) SNCAAPPTNFNOD1INSR
SCHEMBL2028268 0.81 ALDH1A1 (0.39) MEN1POLBKMT2A
SCHEMBL7050705 0.74 ALDH1A1 (0.47) SNCAAPPTNFNOD1INSR
SCHEMBL7049507 0.71 SMN1; SMN2 (0.45) SNCAAPPTNFNOD1INSR
SCHEMBL2024739 0.70 TRIM24 (0.41) SNCAAPPTNFNOD1INSR
SCHEMBL4625707 0.69 SNCA (0.50) SNCAAPPTNFNOD1INSR
SCHEMBL9489633 0.68 HTT (0.44) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL2028698 0.68 INSR (0.47) SNCAAPPTNFNOD1INSR
SCHEMBL1830961 0.68 NPSR1 (0.47) NPC1POLBRAB9AKMT2A
SCHEMBL13173900 0.68 SNCA (0.45) SNCAAPPTNFNOD1INSR

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
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US claimed
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