SCHEMBL7096009

SCHEMBL7096009

Cc1sc2nc(CCC(=O)O)nc(Cl)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 4/20 0.51
NOTUM Q6P988 2/20 0.47
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.40
ABCB1 P08183 1/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7099138 0.91 KDM4E (0.49) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL7100139 0.89 KDM4E (0.48) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL6706677 0.80 LMNA (0.47) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL6708170 0.79 LMNA (0.46) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL6708370 0.78 LMNA (0.45) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL7100819 0.73 CSNK2A2 (0.46) KDM4EALDH1A1NOTUMCSNK2A2CSNK2B
SCHEMBL2854444 0.69 LMNA (0.51) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL7098332 0.69 ALDH1A1 (0.50) KDM4EALDH1A1HTTHPGDMEN1
SCHEMBL7112238 0.66 LMNA (0.44) KDM4ELMNAKMT2ATSHR
SCHEMBL7101086 0.65 CSNK2A2 (0.43) KDM4EALDH1A1LMNANOTUMCSNK2A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347761-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-01 EP disclosed
EP-1337256-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2003-08-27 EP disclosed
WO-2002049650-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 WO disclosed
WO-2002041896-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 WO disclosed
EP-1036078-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2000-09-20 EP disclosed
WO-1999028325-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1999-06-10 WO disclosed