SCHEMBL7112503

SCHEMBL7112503

Cc1cc2c(Cl)nc(CCCCCCC(=O)O)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.43
CSNK2B P67870 3/20 0.43
CSNK2A1 P68400 3/20 0.43
LTB4R Q15722 4/20 0.41
NOTUM Q6P988 1/20 0.39
F13A1 P00488 3/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
PPARA Q07869 1/20 0.34
TBXAS1 P24557 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
SCHEMBL7101086 0.99 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1LTB4RNOTUM
SCHEMBL7100819 0.90 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1NOTUMALDH1A1
SCHEMBL7101124 0.87 F13A1 (0.39) LTB4RF13A1RXFP1ALDH1A1LMNA
SCHEMBL6708361 0.85 HPGD (0.38) CSNK2A2CSNK2BCSNK2A1NOTUMALDH1A1
SCHEMBL7096431 0.85 KDM4E (0.46) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL7102424 0.84 ALDH1A1 (0.47) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL6709557 0.81 KAT2B (0.36) CSNK2A2CSNK2BCSNK2A1NOTUMALDH1A1
SCHEMBL6708455 0.79 RPS6KB2 (0.37) CSNK2A2CSNK2BCSNK2A1NOTUMALDH1A1
SCHEMBL7100139 0.76 KDM4E (0.48) CSNK2A2CSNK2BCSNK2A1NOTUMALDH1A1
SCHEMBL6711488 0.75 ACHE (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 EP disclosed
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-2002060449-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GMBH (DE) 2002-08-08 WO 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