SCHEMBL8014085

SCHEMBL8014085

Cc1cc2c(cc1S(N)(=O)=O)SC(C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA13 Q8N1Q1 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
CA3 P07451 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PDIA6 Q15084 1/20 0.33
HPGD P15428 1/20 0.32
KLK7 P49862 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
SCHEMBL32673908 0.70 LMNA (0.42) LMNACYP2C9CA12CA1CA2
SCHEMBL8024205 0.69 LMNA (0.35) LMNACYP2C9CA12CA1CA2
SCHEMBL629353 0.67 HIF1A (0.39) LMNAKDM4EALDH1A1HPGDKLK7
SCHEMBL10501346 0.67 CA2 (0.36) CYP2C9CA12CA1CA2CA9
SCHEMBL11511279 0.67 KDM4E (0.52) LMNACYP2C9CA12CA1CA2
SCHEMBL28827972 0.65 ALDH1A1 (0.50) LMNACYP2C9CA12CA1CA2
SCHEMBL32674253 0.64 PKLR (0.51) CA12CA1CA2CA9CA4
SCHEMBL7914318 0.64 ACHE (0.42) KDM4EALDH1A1HPGDKLK7
SCHEMBL7922281 0.64 ACHE (0.38) LMNAKDM4EALDH1A1HPGDKLK7
SCHEMBL13363873 0.62 BRD4 (0.32) KDM4EALDH1A1HPGDKLK7

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
WO-2000063202-A2 BENZO[b] THIOPHENE SULFONAMIDE-1, 1-DIOXIDE DERIVATIVES AND THEIR USE AS ANTINEOPLASTIC AGENTS UNIVERSIDAD PUBLICA DE NAVARRA (ES) 2000-10-26 WO disclosed