SCHEMBL23616434

SCHEMBL23616434

CCCc1cccc(C)c1Nc1ccccc1NC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.50
▸ CLCN2 P51788 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL23937092 0.90 CLCN2 (0.45) PTGS2CLCN2MAPTGAAHSD17B10
SCHEMBL22448900 0.83 CLCN2 (0.43) PTGS2CLCN2
SCHEMBL11663834 0.81 MAPT (0.39) PTGS2KMT2AMAPTGAAMAPK1
SCHEMBL23193120 0.81 PTGS2 (0.50) PTGS2RAPGEF4KMT2AMAPTMAPK1
SCHEMBL1135151 0.75 ADRA2B (0.45) MAPTHSD17B10
SCHEMBL6280428 0.75 PTGS2 (0.74) PTGS2CLCN2KMT2AMAPTTP53
SCHEMBL26196304 0.74 GRM5 (0.37) MAPTTP53GAAMAPK1HSD17B10
SCHEMBL7643916 0.74 PTGS2 (0.52) PTGS2CLCN2GAAHSD17B10HTT
SCHEMBL1921293 0.73 RAPGEF4 (0.57) PTGS2RAPGEF4KMT2AMAPTHTT
SCHEMBL18944529 0.73 MAPT (0.45) PTGS2KMT2AMAPTTP53GAA

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-3297051-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-07-07 — — EP disclosed
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