SCHEMBL4764323

SCHEMBL4764323

Cc1cc(S(=O)(=O)N(C)c2ccccc2CCC(=O)O)c(C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KCNJ6 P48051 3/20 0.40
▸ KCNJ5 P48544 3/20 0.40
▸ KCNJ3 P48549 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL14033416 0.79 KMT2A (0.44) KCNJ6KCNJ5KCNJ3LMNAALDH1A1
SCHEMBL4772836 0.76 ALDH1A1 (0.51) LMNAALDH1A1POLBHSD17B1HSD17B2
SCHEMBL4767312 0.76 MCOLN3 (0.55) KCNJ6KCNJ5KCNJ3FFAR1NR3C1
SCHEMBL4773131 0.76 S1PR1 (0.39) CA12CA1CA2CA9KCNJ6
SCHEMBL2158554 0.72 — —
SCHEMBL3814650 0.70 ACLY (0.39) LMNAHSD17B1HSD17B2
SCHEMBL13270767 0.70 LMNA (0.39) LMNAHSD17B1HSD17B2
SCHEMBL5698045 0.70 KEAP1 (0.48) ALDH1A1POLBTHRBFFAR1NPSR1
SCHEMBL6617740 0.69 TDP1 (0.49) CA12CA9PTGER1
SCHEMBL4764324 0.68 L3MBTL1 (0.46) LMNAALDH1A1POLBTHRBNPSR1

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-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 — — EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 — — EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 — — WO disclosed
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