SCHEMBL5767535

SCHEMBL5767535

NS(=O)(=O)c1ccc(N2NC=CS2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA2 P00918 19/20 0.42
CA12 O43570 18/20 0.42
CA9 Q16790 18/20 0.42
CA1 P00915 17/20 0.42
SCN2A Q99250 1/20 0.40
CA7 P43166 5/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CA4 P22748 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AGO2 Q9UKV8 1/20 0.39
CA3 P07451 2/20 0.38

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
SCHEMBL6643829 0.76 CA2 (0.38) CA2CA12CA9CA1CA7
SCHEMBL6622889 0.75 PDIA6 (0.39) KDM4EALDH1A1LMNACA2CA1
SCHEMBL202948 0.67 CA2 (0.81) ALDH1A1CA2CA12CA9CA1
SCHEMBL25430982 0.65 METAP2 (0.34)
SCHEMBL1805283 0.63 CA2 (0.65) ALDH1A1CA2CA12CA9CA1
SCHEMBL2771870 0.62 CA2 (0.56) KDM4EALDH1A1LMNACA2CA12
SCHEMBL7676697 0.61 CA2 (0.62) ALDH1A1CA2CA12CA9CA1
SCHEMBL4707051 0.61
SCHEMBL1730313 0.61 CA2 (0.66) ALDH1A1CA2CA12CA9CA1
SCHEMBL4518266 0.61 ALDH1A1 (1.00) KDM4EALDH1A1LMNACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
WO-2004113310-A1 USE OF AN INHIBITOR OF 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPOUNDS FOR PROMOTING WOUND HEALING BIOVITRUM AB (SE) 2004-12-29 WO claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
WO-2004113310-A1 USE OF AN INHIBITOR OF 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPOUNDS FOR PROMOTING WOUND HEALING BIOVITRUM AB (SE) 2004-12-29 WO disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO disclosed
EP-1461327-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003044000-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed