SCHEMBL7101124

SCHEMBL7101124

O=C(O)CCCCCCc1nc(Cl)c2cc(Cl)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.39
LTB4R Q15722 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
TBXAS1 P24557 5/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 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
SCHEMBL7112503 0.87 CSNK2A2 (0.43) F13A1LTB4RRXFP1MAPTALDH1A1
SCHEMBL7101086 0.86 CSNK2A2 (0.43) F13A1LTB4RRXFP1ALDH1A1LMNA
SCHEMBL7096431 0.85 KDM4E (0.46) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL7102424 0.84 ALDH1A1 (0.47) RXFP1ALDH1A1LMNAPRNPRECQL
SCHEMBL7100819 0.76 CSNK2A2 (0.46) ALDH1A1HDAC6
SCHEMBL7100139 0.73 KDM4E (0.48) MAPTALDH1A1LMNAPOLBTDP1
SCHEMBL6708361 0.73 HPGD (0.38) MAPTALDH1A1
SCHEMBL6708399 0.71 SELE (0.41) ALDH1A1TDP1
SCHEMBL6709557 0.68 KAT2B (0.36) MAPTALDH1A1
SCHEMBL6798230 0.62 F13A1 (0.47) F13A1LTB4RHDAC6HDAC3HDAC1

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