SCHEMBL30955085

SCHEMBL30955085

CN1CCc2c1cccc2S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.38
CA2 P00918 11/20 0.38
CA1 P00915 8/20 0.38
CA9 Q16790 8/20 0.38
CA12 O43570 7/20 0.38
DRD2 P14416 2/20 0.37
HTR6 P50406 2/20 0.37
DRD3 P35462 1/20 0.37
CA7 P43166 4/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA5A P35218 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CYP2C9 P11712 1/20 0.36
CDK2 P24941 1/20 0.36
PNMT P11086 1/20 0.35
NOTUM Q6P988 1/20 0.34
CA3 P07451 1/20 0.34
CA13 Q8N1Q1 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
SCHEMBL31387014 0.80 POLB (0.46) CA2CA1CA9CA12
SCHEMBL31387027 0.78 STAT3 (0.36) CA2CA1CA9CA12CA7
SCHEMBL22631587 0.76 HTT (0.35) DRD2HTR6DRD3NOTUM
SCHEMBL13462411 0.74 S1PR1 (0.37) NOTUM
SCHEMBL29469850 0.74 MAOA (0.49) DRD2HTR6DRD3
SCHEMBL94532 0.73 DRD2 (0.46) DRD2DRD3NOTUM
SCHEMBL2484100 0.73 ADRA2C (0.44) NOTUM
SCHEMBL256749 0.71 NOTUM (0.56) DRD2NOTUM
SCHEMBL24302743 0.70 NOTUM (0.43) CA2NOTUM
SCHEMBL14507205 0.70 HTR2A (0.46) DRD2DRD3NOTUM

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-4638441-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2025-10-29 EP claimed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO claimed