SCHEMBL29812480

SCHEMBL29812480

Cc1cc(F)ccc1-c1c(C)[nH]cc(C(=O)O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ HPGD P15428 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ CXCL12 P48061 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SLC22A6 Q4U2R8 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
SCHEMBL23148035 1.00 KDM4E (0.51) KDM4ECSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL23146830 0.83 KDM4E (0.49) KDM4ECSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL23147361 0.77 ALK (0.43) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL29764820 0.77 ALK (0.43) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL23147510 0.75 HAO2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29812407 0.75 NOTUM (0.39) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL23147123 0.75 NOTUM (0.39) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL29812266 0.75 HAO2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9672293 0.73 KEAP1 (0.52) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL10462527 0.72 CSNK2A1 (0.47) KDM4ECSNK2A2CSNK2BCSNK2A1HPGD

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
CN-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 — — CN disclosed
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