SCHEMBL28408726

SCHEMBL28408726

Cc1ccc(Cc2cnccc2NC(C)(C)C(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 7/20 0.46
▸ LATS1 O95835 1/20 0.38
▸ KDM4C Q9H3R0 4/20 0.37
▸ BRS3 P32247 2/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL21333987 0.88 SLC22A12 (0.46) SLC22A12LATS1KDM4CBRS3FTO
SCHEMBL21350630 0.87 LATS1 (0.45) SLC22A12LATS1KDM4CMAPK8MAPK9
SCHEMBL21331805 0.85 SLC22A12 (0.44) SLC22A12LATS1KDM4CCYP2C9
SCHEMBL28412038 0.85 SLC22A12 (0.66) SLC22A12
SCHEMBL21333904 0.80 SLC22A12 (0.39) SLC22A12KDM4CFTOMAPK8MAPK9
SCHEMBL21331809 0.77 SLC22A12 (0.74) SLC22A12
SCHEMBL21333896 0.77 SLC22A12 (0.46) SLC22A12CYP2C9
SCHEMBL21350533 0.77 LATS1 (0.43) SLC22A12LATS1MAPK8MAPK9MAPK10
SCHEMBL21350307 0.75 ELANE (0.42) SLC22A12KDM4CMAPK8MAPK9MAPK10
SCHEMBL21333890 0.74 CCNC (0.44) SLC22A12FTONOTUM

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-108440397-B 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof 南方医科大学 2020-06-05 — — CN disclosed
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