SCHEMBL7015936

SCHEMBL7015936

Cc1cccc(CNC(=O)c2ncccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ADORA2A P29274 4/20 0.53
▸ ADORA1 P30542 3/20 0.53
▸ ASAH1 Q13510 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ESR1 P03372 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ ROCK2 O75116 2/20 0.47

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
SCHEMBL30592138 0.88 MMP13 (0.60) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23521923 0.88 MMP13 (0.60) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18715381 0.84 MMP13 (0.71) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14284368 0.82 MMP13 (0.60) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29328528 0.82 MMP13 (0.60) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16126516 0.82 POLB (0.55) MMP13ALDH1A1HPGDPOLBRXFP1
SCHEMBL922567 0.81 HPGD (0.68) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30780038 0.81 GAA (0.62) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14724810 0.81 GAA (0.62) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8358840 0.81 MMP13 (1.00) MMP13KDM4EALDH1A1HPGDHSD17B10

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-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 — — EP disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO disclosed
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