SCHEMBL25829681

SCHEMBL25829681

CNS(=O)(=O)CC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CA12 O43570 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BIRC2 Q13490 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL21962937 0.85 KMT2A (0.51) KMT2AMEN1CA12CA9CA7
SCHEMBL21962922 0.84 KMT2A (0.57) KMT2AMEN1CA12CA9CA7
SCHEMBL7335528 0.84 KMT2A (0.50) KMT2AMEN1CA12CA9CA7
SCHEMBL7332197 0.84 KMT2A (0.50) KMT2AMEN1CA12CA9CA7
SCHEMBL7415092 0.82 KMT2A (0.52) KMT2AMEN1CA12CA9CA7
SCHEMBL7335530 0.82 MEN1 (0.49) KMT2AMEN1CA12CA9CA7
SCHEMBL22010526 0.81 POLB (0.44) KMT2AMEN1CA12CA9CA7
SCHEMBL7269972 0.81 POLB (0.48) KMT2AMEN1CA12CA9CA7
SCHEMBL25829683 0.79 KMT2A (0.52) KMT2AMEN1CA12CA9CA7
SCHEMBL25829682 0.79 KMT2A (0.46) KMT2AMEN1CA12CA9CA7

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-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 — — EP disclosed
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