SCHEMBL25944368

SCHEMBL25944368

O=Nc1ccc(C(=O)/C=C/c2ccc(N=O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.42
▸ F3 P13726 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TERT O14746 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ CXCL12 P48061 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL25944318 0.87 SNCA (0.50) MEN1KMT2AMAPTTERTSNCA
SCHEMBL19050353 0.74 RAD1 (0.40) MEN1KMT2AMAPTSNCA
SCHEMBL25208467 0.73 F3 (0.77) F3MEN1KMT2AMAPTCXCL12
SCHEMBL25198993 0.73 F3 (0.77) F3MEN1KMT2AMAPTCXCL12
SCHEMBL29625135 0.72 SNCA (0.62) MAPTTERTSNCACXCL12
SCHEMBL25339938 0.72 SNCA (0.62) MAPTTERTSNCACXCL12
SCHEMBL30383878 0.66 CYP3A4 (0.58) KMT2AMAPTTERTSNCACXCL12
SCHEMBL14342093 0.66 CYP3A4 (0.58) KMT2AMAPTTERTSNCACXCL12
SCHEMBL16303864 0.66 EGFR (0.46) PTGS2MEN1KMT2AMAPTTERT
SCHEMBL14397151 0.65 LMNA (0.57) MEN1KMT2AMAPT

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
EP-4223740-A1 TYROSINASE-INHIBITING MOLECULES AND DERMOPHARMACEUTICAL COMPOSITION THAT INCLUDES THEM Mesoestetic Pharma Group, S.L. (ES) 2023-08-09 — — EP disclosed
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