SCHEMBL6622889

SCHEMBL6622889

Cc1cc(N2NC=CS2)ccc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.39
BMPR1A P36894 1/20 0.32
ACVR1 Q04771 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
PTGS2 P35354 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
SCHEMBL5767535 0.75 KDM4E (0.44) ALDH1A1KDM4ECA1CA2CA7
SCHEMBL6643829 0.72 CA2 (0.38) CA1CA2CA7
SCHEMBL1094650 0.70 CA2 (0.44) CA1CA2CA7
SCHEMBL5795116 0.65 PDIA6 (0.55) PDIA6L3MBTL1ALDH1A1KDM4ECA1
SCHEMBL30266645 0.65 PDIA6 (0.55) PDIA6L3MBTL1ALDH1A1KDM4ECA1
SCHEMBL27497931 0.65 KMT2A (0.64) ALDH1A1KDM4ECA1CA2LMNA
SCHEMBL23536145 0.63 PDIA6 (0.53) PDIA6L3MBTL1KDM4ECA1CA2
SCHEMBL1808292 0.63 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4ECA1
SCHEMBL1807019 0.63 L3MBTL1 (0.70) PDIA6L3MBTL1ALDH1A1KDM4ECA1
SCHEMBL12094098 0.63 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461327-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
WO-2003044000-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO 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 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