SCHEMBL9463271

SCHEMBL9463271

CC1=C(C(=O)O)C(c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)O)=C(C)N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
PSMB5 P28074 1/20 0.42
GSK3A P49840 7/20 0.40
GSK3B P49841 7/20 0.40
AXL P30530 6/20 0.40
MET P08581 1/20 0.40
CAMKK2 Q96RR4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAP4K4 O95819 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
SGK1 O00141 2/20 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
SCHEMBL9580965 0.93 CYP2C9 (0.48) NR3C2AXLCAMKK2ALDH1A1HPGD
SCHEMBL9580964 0.89 CYP2C9 (0.51) NR3C2AXLCAMKK2ALDH1A1HPGD
SCHEMBL9463382 0.87 NR3C2 (0.51) NR3C2ALDH1A1HPGDNPSR1
SCHEMBL9385237 0.82 NR3C2 (0.42) NR3C2PSMB5GSK3AGSK3BAXL
SCHEMBL8923705 0.81 NR3C2 (0.52) NR3C2METALDH1A1HTTNPSR1
SCHEMBL7162892 0.81 NR3C2 (0.52) NR3C2METALDH1A1HTTNPSR1
SCHEMBL9140284 0.81 NR3C2 (0.44) NR3C2AXLCAMKK2ALDH1A1HPGD
SCHEMBL9467948 0.80 NR3C2 (0.62) NR3C2AXLMETALDH1A1HPGD
SCHEMBL9137745 0.80 NR3C2 (0.47) NR3C2ALDH1A1HPGDHTTNPSR1
SCHEMBL9139844 0.79 NR3C2 (0.56) NR3C2NPSR1

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-5262429-A CARDIOTONIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed