SCHEMBL7516530

SCHEMBL7516530

CCOC(=O)C1=C(C(C)C)Nc2c(c(=O)n(CC(=O)O)c(=O)n2Cc2ccccc2OC)C1c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GNRHR P30968 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNA1D Q01668 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
SCHEMBL7512664 0.72 SLC10A2 (0.43) SMN1; SMN2GNRHRMAPK1TP53LMNA
SCHEMBL7511306 0.69 MAPT (0.38) KDM4ESMN1; SMN2GNRHRMEN1KMT2A
SCHEMBL8955489 0.67 ADORA3 (0.63) GAAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9388643 0.64 BRD4 (0.47) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL9387828 0.64 BRD4 (0.44) GAABRD4BRD2BRD3BRDT
SCHEMBL2647704 0.63 CACNA1F (0.56) GAAKDM4ESMN1; SMN2PTPN1ADORA3
SCHEMBL10518334 0.63 ACHE (0.43) GAAKDM4ESMN1; SMN2PTPN1LMNA
SCHEMBL7508121 0.62 GAA (0.49) GAAKDM4ESMN1; SMN2GNRHRMEN1
SCHEMBL9270856 0.62 CACNA1D (0.45) GAAKDM4ESMN1; SMN2ADORA3LMNA
SCHEMBL8949608 0.62 EPHX2 (0.51) GAAKDM4ESMN1; SMN2ADORA3MAPK1

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-0608565-B1 Pyridopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-13 EP disclosed
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed