SCHEMBL25829683

SCHEMBL25829683

CN=S(N)(=O)CC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CA12 O43570 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA7 P43166 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MIF P14174 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL21962922 0.86 KMT2A (0.57) KMT2AMEN1CA12CA9CA2
SCHEMBL25829682 0.84 KMT2A (0.46) KMT2AMEN1CA12CA9CA2
SCHEMBL22010524 0.82 KMT2A (0.46) KMT2AMEN1CA12CA9CA2
SCHEMBL21962937 0.81 KMT2A (0.51) KMT2AMEN1CA12CA9CA2
SCHEMBL7335528 0.80 KMT2A (0.50) KMT2AMEN1CA12CA9CA2
SCHEMBL7332197 0.80 KMT2A (0.50) KMT2AMEN1CA12CA9CA2
SCHEMBL7415092 0.79 KMT2A (0.52) KMT2AMEN1CA12CA9CA2
SCHEMBL25829681 0.79 KMT2A (0.49) KMT2AMEN1CA12CA9CA2
SCHEMBL7335530 0.79 MEN1 (0.49) KMT2AMEN1CA12CA9CA2
SCHEMBL7269972 0.78 POLB (0.48) KMT2AMEN1CA12CA9CA2

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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