SCHEMBL9275263

SCHEMBL9275263

Cc1cccc(-c2ccccc2)c1CC(C)(C)S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PTGS2 P35354 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
MYC P01106 1/20 0.34
MCOLN3 Q8TDD5 2/20 0.34
HTR7 P34969 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL7366245 0.85 ALDH1A1 (0.42) CA12CA1CA2CA9PTGS2
SCHEMBL9373748 0.82 DPP4 (0.36) CA12CA1CA2CA9PTGS2
SCHEMBL2482119 0.72 DPP4 (0.50) CA12CA1CA2CA9PDCD1
SCHEMBL7343883 0.72 CA2 (0.41) CA12CA1CA2CA9PTGS2
SCHEMBL9717406 0.71 PDCD1 (0.47) ADORA3ADORA2AADORA1PDCD1CD274
SCHEMBL29699190 0.71 PDCD1 (0.47) ADORA3ADORA2AADORA1PDCD1CD274
SCHEMBL7369396 0.71 NPC1 (0.38) CA12CA1CA2CA9LMNA
SCHEMBL5145167 0.70 SLC6A2 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL17697636 0.70 PDCD1 (0.55) PDCD1CD274MYCHTR7SMN1; SMN2
SCHEMBL8029374 0.70 CA12 (0.38) CA12CA1CA2CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640084-A4 6-AMINO SUBSTITUTED IMIDAZO 4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0640084-A1 6-AMINO SUBSTITUTED IMIDAZO 4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1995-03-01 EP disclosed
EP-0586513-A1 ACIDIC ARALKYL TRIAZOLE DERIVATIVES ACTIVE AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1994-03-16 EP disclosed