SCHEMBL8944173

SCHEMBL8944173

CCC(Nc1ncccc1C(=O)O)c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RPS6KB1 P23443 1/20 0.37
HTT P42858 1/20 0.36
DHODH Q02127 3/20 0.36
CDC7 O00311 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
KCNA5 P22460 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL6607142 0.86 BRS3 (0.39) AGTR1AGTR2
SCHEMBL6607401 0.78 BDKRB1 (0.34) SMN1; SMN2
SCHEMBL6607743 0.76 HTT (0.41) HTTAGTR1AGTR2PPARG
SCHEMBL8944180 0.75 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6606968 0.72 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9491813 0.71 DHODH (0.40) DHODH
SCHEMBL8548756 0.71 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL6609591 0.71 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL4119807 0.70 DHODH (0.44) DHODH
SCHEMBL6605990 0.70 BRS3 (0.39) SMN1; SMN2AGTR1AGTR2

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-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US claimed