SCHEMBL6932140

SCHEMBL6932140

Cc1cc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.53
POLB P06746 1/20 0.48
PDE7A Q13946 3/20 0.47
PDE7B Q9NP56 2/20 0.47
PLA2G4A P47712 1/20 0.46
SLC9A1 P19634 1/20 0.44
USP7 Q93009 1/20 0.43
PADI4 Q9UM07 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6932470 0.91 ALDH1A1 (0.52) BCL2L1POLBSLC9A1ALDH1A1LMNA
SCHEMBL6935504 0.89 MAPT (0.45) BCL2L1POLBALDH1A1LMNA
SCHEMBL6936874 0.88 PDE7A (0.47) BCL2L1PDE7APDE7BSLC9A1USP7
SCHEMBL6938143 0.87 BCL2L1 (0.48) BCL2L1POLBPDE7APDE7BPLA2G4A
SCHEMBL27373702 0.86 BCL2L1 (0.50) BCL2L1POLBPDE7APDE7BPLA2G4A
SCHEMBL6937291 0.86 MEN1 (0.41) BCL2L1POLBPDE7AALDH1A1LMNA
SCHEMBL6936990 0.83 SLC9A1 (0.42) POLBPDE7ASLC9A1ALDH1A1LMNA
SCHEMBL6937471 0.83 SLC6A4 (0.47) POLBPDE7ASLC9A1USP7ALDH1A1
SCHEMBL6934463 0.81 SLC6A2 (0.45) POLBSLC9A1ALDH1A1LMNA
SCHEMBL6938838 0.79 MAPT (0.40) SLC9A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758644-B1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 2003-10-15 EP disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed