SCHEMBL26345593

SCHEMBL26345593

CNC/C(=C/F)COc1ccc(S(=O)(=O)N2CCC(C)(C(=O)OC)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 4/20 0.40
▸ AOC2 O75106 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35

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
SCHEMBL26284042 1.00 PTGDR (0.40) PTGDRAOC2MAOAKDM4EALDH1A1
SCHEMBL26284074 0.92 PTGDR (0.42) PTGDRAOC2MAOAKDM4EALDH1A1
SCHEMBL26284110 0.91 PTGDR (0.40) PTGDRAOC2MAOAKDM4EALDH1A1
SCHEMBL24025489 0.90 AOC2 (0.49) AOC2MAOAMAOB
SCHEMBL24058351 0.90 AOC2 (0.49) AOC2MAOAMAOB
SCHEMBL24025663 0.87 F13A1 (0.40) PTGDRAOC2MAOAKDM4EALDH1A1
SCHEMBL26345753 0.87 MAOB (0.41) PTGDRAOC2KDM4EALDH1A1MAOB
SCHEMBL26345713 0.87 MAOB (0.37) PTGDRAOC2MAOAKDM4EALDH1A1
SCHEMBL26283924 0.86 KDM4E (0.46) PTGDRKDM4EALDH1A1TSHRATM
SCHEMBL26345567 0.84 AOC2 (0.40) PTGDRAOC2MAOAKDM4EALDH1A1

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
EP-3873599-B1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-09-27 — — EP disclosed
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