SCHEMBL30951972

SCHEMBL30951972

NS(=O)(=O)c1ccc(C2(O)C(=O)N(c3cccc4cnccc34)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
P2RX7 Q99572 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PRKCA P17252 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL30951985 0.85 NAMPT (0.39) KDM4EOPRM1OPRL1P2RX7CYP1A2
SCHEMBL30951947 0.83 IDO1 (0.39) CA2CA12CA1CA9PTGS1
SCHEMBL30951940 0.83 SCN9A (0.40) CA2CA12CA1CA9PTGS1
SCHEMBL30952007 0.81 SCN9A (0.50) CA2CA12CA9SCN9A
SCHEMBL30951978 0.81 SCN9A (0.43) CA2CA12CA1CA9KDM4E
SCHEMBL30951975 0.77 CA12 (0.42) CA2CA12CA1CA9PTGS1
SCHEMBL30951944 0.74 CA2 (0.43) CA2CA12CA1CA9
SCHEMBL30952002 0.73 RECQL (0.46) CA2CA12CA1CA9PTGS2
SCHEMBL30952006 0.72 SCN9A (0.50) CA2CA12CA1CA9PTGS1
SCHEMBL30951971 0.70 CNR1 (0.51) CA2CA12CA9SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630401-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF Rutgers, the State University of New Jersey (US) 2025-10-15 EP disclosed
WO-2024124023-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-06-13 WO disclosed