SCHEMBL20504652

SCHEMBL20504652

Cc1cn(C)c(S(N)(=O)=O)n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.32
CA2 P00918 8/20 0.32
CA12 O43570 7/20 0.32
CA9 Q16790 6/20 0.32
CA7 P43166 4/20 0.32
CA6 P23280 3/20 0.32
CA5A P35218 3/20 0.32
CA5B Q9Y2D0 3/20 0.32
CA4 P22748 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA3 P07451 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL3018155 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL27833603 0.79 POLB (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL27698205 0.78 TSHR (0.33) ALDH1A1
SCHEMBL28253552 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL489962 0.67 LMNA (0.48) CA1CA2CA12CA9CA7
SCHEMBL2616842 0.66
SCHEMBL8466464 0.66
SCHEMBL486467 0.64
SCHEMBL13316187 0.64 TSHR (0.35) ALDH1A1
Formamide SCHEMBL23636189 0.64 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377493-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS Forma Therapeutics, Inc. (US) 2018-09-26 EP claimed
CN-108473495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2018-08-31 CN claimed
CN-104507944-B Pteridines as FGFR inhibitors 阿斯特克斯治疗有限公司 2017-04-12 CN disclosed
CN-102796081-A Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB 2012-11-28 CN disclosed
CN-101048401-B Pyrimidine sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB 2012-09-12 CN disclosed
CN-100345829-C Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
CN-1681795-A Pyrimidyl sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2005-10-12 CN disclosed