SCHEMBL30228411

SCHEMBL30228411

O=c1cc(-c2ccc(F)cc2Cl)c2ccc(OS(=O)(=O)C(F)(F)F)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.43
▸ ALPI P09923 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CA9 Q16790 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ STS P08842 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ AR P10275 4/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAOB P27338 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ AGER Q15109 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL9262604 0.79 MAOB (0.60) KDM4EALDH1A1CA9CA12SMN1; SMN2
SCHEMBL20848064 0.78 ALDH1A1 (0.64) KDM4EALDH1A1ARHPGD
SCHEMBL30762931 0.78 ALDH1A1 (0.64) KDM4EALDH1A1ARHPGD
SCHEMBL20839145 0.78 ALDH1A1 (0.64) KDM4EALDH1A1ARHPGD
SCHEMBL30228305 0.78 ALDH1A1 (0.58) KDM4EALDH1A1GAACA9CA2
SCHEMBL30231641 0.78 CA12 (0.49) KDM4EALDH1A1CA9CA2CA12
SCHEMBL30228363 0.77 ALDH1A1 (0.52) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL20839359 0.76 ALDH1A1 (0.45) KDM4EALDH1A1GAACA9CA12
SCHEMBL20839408 0.76 CA12 (0.69) KDM4EALDH1A1GAACA9CA12
SCHEMBL30228226 0.76 CA12 (0.69) KDM4EALDH1A1GAACA9CA12

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
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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