SCHEMBL30612331

SCHEMBL30612331

COc1ccc(-c2cc(C)n(Cc3ccccc3)c(=O)c2)c(C(=O)N(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 1/20 0.48
▸ PLA2G2A P14555 7/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PLA2G10 O15496 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30612338 0.90 KLK1 (0.48) KLK1KMT2AMAPTSMN1; SMN2
SCHEMBL29264850 0.88 KDM4E (0.52) KLK1PLA2G2APLA2G1BMAPK8NOTUM
SCHEMBL30612324 0.87 NOTUM (0.45) NOTUMPTGDR2TSHRKMT2ASMN1; SMN2
SCHEMBL30612320 0.87 KMT2A (0.52) NOTUMTSHRMAPK1KMT2AMAPT
SCHEMBL29264884 0.82 MAPK8 (0.50) KLK1PLA2G2APLA2G1BMAPK8NOTUM
SCHEMBL30612318 0.80 GRIA2 (0.48) NOTUMPTGDR2TSHRKMT2AMAPT
SCHEMBL29264863 0.79 SLC6A4 (0.45) KLK1MAPK8KMT2AMAPT
SCHEMBL29264847 0.78 KDM4E (0.50) MAPK8NOTUMTSHRKMT2AMAPT
SCHEMBL29264882 0.78 KDM4E (0.47) PLA2G2AMAPK8NOTUMTSHRKMT2A
SCHEMBL29264859 0.77 NOTUM (0.58) NOTUMTSHRSMN1; SMN2

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
CN-116854631-B 4-Aryl-2-pyridone compound and preparation method thereof 安徽中医药大学 2025-04-15 — — CN disclosed
CN-116854631-A 4-aryl-2-pyridone compound and preparation method thereof 安徽中医药大学 2023-10-10 — — CN disclosed
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