SCHEMBL6936874

SCHEMBL6936874

Cc1cc(Sc2cccc(Cl)c2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.47
USP7 Q93009 1/20 0.46
IDO1 P14902 1/20 0.44
PDE7B Q9NP56 1/20 0.44
BCL2L1 Q07817 1/20 0.43
SLC9A1 P19634 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6936990 0.89 SLC9A1 (0.42) PDE7ASLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL6932140 0.88 BCL2L1 (0.53) PDE7AUSP7PDE7BBCL2L1SLC9A1
SCHEMBL7075292 0.88 PDE7A (0.46) PDE7AUSP7IDO1PDE7BBCL2L1
SCHEMBL27373137 0.87 USP7 (0.47) PDE7AUSP7IDO1PDE7BBCL2L1
SCHEMBL6938838 0.85 MAPT (0.40) SLC9A1MAPTLMNA
SCHEMBL6932470 0.84 ALDH1A1 (0.52) BCL2L1SLC9A1MAPTLMNA
SCHEMBL6937471 0.83 SLC6A4 (0.47) PDE7AUSP7SLC9A1MAPTLMNA
SCHEMBL6935504 0.82 MAPT (0.45) BCL2L1MAPTSMN1; SMN2LMNA
SCHEMBL6936772 0.80 SLC9A1 (0.43) SLC9A1
SCHEMBL6936108 0.80 SLC9A1 (0.57) SLC9A1

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