SCHEMBL7010996

SCHEMBL7010996

COc1ccc(CNc2nc(C(=O)O)nc3sc(-c4cccnc4)c(C)c23)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE5A O76074 8/20 0.42
PDE10A Q9Y233 1/20 0.40
PGK1 P00558 1/20 0.40
PDE4B Q07343 1/20 0.40
MAPT P10636 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HTR1A P08908 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL7009909 0.92 KDM4E (0.50) KDM4EALDH1A1PDE5APGK1
SCHEMBL7008203 0.84 KDM4E (0.48) KDM4EALDH1A1PDE5APDE10AMAPT
SCHEMBL7015902 0.84 ALDH1A1 (0.43) KDM4EALDH1A1PDE5APGK1PDE4B
SCHEMBL7015318 0.81 ALDH1A1 (0.48) KDM4EALDH1A1PDE5APDE10APGK1
SCHEMBL7017308 0.80 PRKCI (0.50) KDM4EALDH1A1PDE5APDE10AMAPT
SCHEMBL5130031 0.80 SMN1; SMN2 (0.46) KDM4EALDH1A1PDE5APGK1PDE4B
SCHEMBL7018641 0.79 KDM4E (0.60) KDM4EALDH1A1PDE5APGK1MAPT
SCHEMBL7016466 0.77 PDE5A (0.51) KDM4EALDH1A1PDE5APGK1PDE4B
SCHEMBL5813077 0.77 ALDH1A1 (0.48) KDM4EALDH1A1PDE5APGK1PDE4B
SCHEMBL5127640 0.77 PDE5A (0.46) KDM4EALDH1A1PDE5APGK1PDE4B

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