SCHEMBL31019062

SCHEMBL31019062

COC(=O)c1c(OC)cccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.57
SRC P12931 2/20 0.57
FGFR2 P21802 2/20 0.57
FGFR4 P22455 2/20 0.57
FGFR3 P22607 2/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
PRKCZ Q05513 1/20 0.53
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51

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
SCHEMBL4002652 0.88 CA12 (0.69) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL30536599 0.88 CA12 (0.69) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL5710937 0.87 HTT (0.51) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL6536225 0.86 ALDH1A1 (0.51) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL6634531 0.85 CA12 (0.55) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL7755637 0.85 CA12 (0.55) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL13228930 0.83 HTT (0.62) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL27717648 0.83 HTT (0.51) FGFR1SRCFGFR2FGFR4FGFR3
Methyl 2,6-Dimethoxybenzoate SCHEMBL2095636 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9049651 0.83 CA12 (0.69) FGFR1SRCFGFR2FGFR4FGFR3

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-118525025-A Six-membered cyclothiazole compound and application thereof 南京再明医药有限公司 2024-08-20 CN disclosed