SCHEMBL22353067

SCHEMBL22353067

CONc1ccc(-n2cc(C#N)cn2)c(S(N)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
SCN9A Q15858 3/20 0.33
F10 P00742 1/20 0.33
F11 P03951 2/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
ALPL P05186 1/20 0.32
KLK1 P06870 1/20 0.32
ENPP1 P22413 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL28280356 0.85 KDM1A (0.41) CA1CA2CA12CA9PGR
SCHEMBL19577030 0.83 P2RX4 (0.46)
SCHEMBL19551440 0.80 CA12 (0.52) CA1CA2CA12CA9
SCHEMBL29782427 0.79 CA12 (0.35) CA1CA2CA12CA9SCN9A
SCHEMBL19551567 0.79 CA12 (0.35) CA1CA2CA12CA9SCN9A
SCHEMBL19551603 0.79 P2RX4 (0.53)
SCHEMBL19551428 0.78 P2RX4 (0.47) ENPP1
SCHEMBL28279131 0.77 NLRP3 (0.46) CA1CA2CA12CA9
SCHEMBL19551485 0.77 LMNA (0.40) CA1CA2CA12CA9
SCHEMBL28280449 0.77 LMNA (0.43) CA1CA2CA12CA9

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-3458443-B1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma AG (DE) 2020-08-19 EP disclosed