SCHEMBL7009909

SCHEMBL7009909

CCOC(=O)c1nc(NCc2ccc(OC)c(Cl)c2)c2c(C)c(-c3cccnc3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.44
SLC26A6 Q9BXS9 4/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE5A O76074 7/20 0.42
TP53 P04637 1/20 0.41
PGK1 P00558 1/20 0.41
PDE6D O43924 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40

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
SCHEMBL7010996 0.92 KDM4E (0.42) KDM4EALDH1A1PDE5APGK1
SCHEMBL7018641 0.85 KDM4E (0.60) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL7015902 0.82 ALDH1A1 (0.43) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL7015318 0.79 ALDH1A1 (0.48) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL7008203 0.79 KDM4E (0.48) KDM4EALDH1A1KMT2ALMNAPDE5A
SCHEMBL7017308 0.79 PRKCI (0.50) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL5130031 0.78 SMN1; SMN2 (0.46) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL7016074 0.78 MEN1 (0.47) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL7016466 0.76 PDE5A (0.51) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL5813077 0.76 ALDH1A1 (0.48) KDM4EALDH1A1KMT2ALMNAHPGD

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-1329454-A1 THIENOPYRIMIDINE COMPOUNDS AND THEIR SALTS AND PROCESS FOR PREPARATION OF BOTH NIPPON SODA CO., LTD. (JP) 2003-07-23 EP disclosed