SCHEMBL29011990

SCHEMBL29011990

COc1cc(C(=O)O)ncc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ ASPH Q12797 3/20 0.58
▸ KDM8 Q8N371 2/20 0.58
▸ MAPK1 P28482 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ P4HTM Q9NXG6 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KMO O15229 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 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
SCHEMBL24510117 0.86 KDM4E (0.41) KDM4EASPHKDM8MAPK1LMNA
SCHEMBL29743774 0.86 KDM4E (0.41) KDM4EASPHKDM8MAPK1LMNA
SCHEMBL27164886 0.86 KDM4E (0.53) KDM4EASPHKDM8MAPK1LMNA
SCHEMBL18009392 0.83 GPR35 (0.49) KDM4EASPHKDM8MAPK1GPR35
SCHEMBL29368707 0.83 GPR35 (0.49) KDM4EASPHKDM8MAPK1GPR35
SCHEMBL28979056 0.82 KDM4E (0.46) KDM4EASPHKDM8MAPK1LMNA
SCHEMBL9568767 0.80 KDM4E (0.50) KDM4EASPHKDM8MAPK1GPR35
SCHEMBL1425220 0.80 GPR35 (0.50) KDM4EASPHKDM8MAPK1GPR35
SCHEMBL21045825 0.80 HTT (0.49) KDM4EASPHKDM8MAPK1HTT
SCHEMBL30028650 0.80 GPR35 (0.50) KDM4EASPHKDM8MAPK1GPR35

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-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 — — CN disclosed
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