SCHEMBL13614850

SCHEMBL13614850

BCc1nc(C(=O)O)cs1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PLA2G4A P47712 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.38
HPGDS O60760 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
SCHEMBL457576 0.82 MMP2 (0.54) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL2839000 0.82 MMP1 (0.54) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL743961 0.80 MMP13 (0.57) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL3597949 0.80 MMP1 (0.53) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL2497828 0.80 MMP1 (0.53) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL1244889 0.80 MMP1 (0.53) MMP1MMP2MMP9MMP13KDM4E
Hydrochloric Acid SCHEMBL23120712 0.78 MMP1 (0.51) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL28785165 0.77 MMP13 (0.54) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL2142883 0.77 MMP1 (0.50) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL27427579 0.77 MMP1 (0.50) MMP1MMP2MMP9MMP13KDM4E

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed