SCHEMBL3440988

SCHEMBL3440988

COc1cc(-c2nc3ccc(C4=NNC(=O)SC4C)cc3[nH]2)ccc1[S+](C)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.56
PDE3B Q13370 7/20 0.48
PDE3A Q14432 7/20 0.48
ABCB11 O95342 1/20 0.48
MAOA P21397 1/20 0.48
ADORA2A P29274 1/20 0.48
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
F10 P00742 1/20 0.41
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
AMY1A P0DUB6 6/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL3609382 0.93 FBP1 (0.48) FBP1PDE3BPDE3AABCB11MAOA
Hydrochloric Acid SCHEMBL3440981 0.92 FBP1 (0.47) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3440867 0.85 FBP1 (0.56) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3440893 0.82 FBP1 (0.59) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3440914 0.78 FBP1 (0.48) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3440983 0.77 FBP1 (0.66) FBP1PDE3BPDE3AABCB11MAOA
Hydrochloric Acid SCHEMBL3618780 0.77 FBP1 (0.47) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3614084 0.77 FBP1 (0.55) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3440936 0.76 FBP1 (0.48) FBP1PDE3BPDE3AABCB11MAOA
SCHEMBL3440912 0.74 FBP1 (0.50) FBP1PDE3BPDE3AABCB11MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229385-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2010-09-22 EP claimed
WO-2009062576-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-05-22 WO claimed