SCHEMBL7734085

SCHEMBL7734085

O=C1NC(=O)C(Cc2ccc(Br)cc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.42
PPARA Q07869 1/20 0.42
GSK3B P49841 2/20 0.41
CES2 O00748 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL8402315 0.81 GAA (0.42) MAPTTP53LMNAFFAR1PPARA
SCHEMBL2673069 0.81 HSD17B10 (0.46) HSD17B10MAPTGSK3BGAAKDM4E
SCHEMBL30020109 0.81 GAA (0.54) HSD17B10MAPTGSK3BCES2GAA
SCHEMBL15978113 0.81 HSD17B10 (0.46) HSD17B10MAPTGSK3BGAAKDM4E
SCHEMBL320007 0.80 HSD17B10 (0.53) HSD17B10MAPTGSK3BGAAKDM4E
SCHEMBL2672578 0.79 HSD17B10 (0.45) HSD17B10MAPTTP53LMNAFFAR1
SCHEMBL17358744 0.78 HSD17B10 (0.47) HSD17B10MAPTLMNAFFAR1GSK3B
SCHEMBL13045671 0.77 ALDH1A1 (0.44) HSD17B10MAPTTP53GSK3BCES2
SCHEMBL2673406 0.77 NPSR1 (0.58) HSD17B10MAPTALDH1A1
SCHEMBL15419596 0.77 HSD17B10 (0.42) HSD17B10MAPTTP53GSK3BGAA

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
US-6413936-B1 RHEUMATIC DISORDERS; ANTIISCHEMIC AGENTS GLYCOREX AB (SE) 2002-07-02 US disclosed