SCHEMBL6936990

SCHEMBL6936990

Cc1cccc(Sc2cc(C)c(C(=O)N=C(N)N)cc2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SCN2A Q99250 1/20 0.39
LMNA P02545 1/20 0.39
PDE7A Q13946 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6936874 0.89 PDE7A (0.47) SLC9A1MAPTSMN1; SMN2LMNAPDE7A
SCHEMBL6935462 0.89 SLC9A1 (0.40) SLC9A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL6932470 0.88 ALDH1A1 (0.52) SLC9A1MAPTPOLBMEN1KMT2A
SCHEMBL6938838 0.87 MAPT (0.40) SLC9A1MAPTLMNAGAA
SCHEMBL27372100 0.87 MAPT (0.44) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL6934463 0.84 SLC6A2 (0.45) SLC9A1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL6935504 0.83 MAPT (0.45) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL6932140 0.83 BCL2L1 (0.53) SLC9A1POLBALDH1A1LMNAPDE7A
SCHEMBL6937291 0.81 MEN1 (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6932986 0.80 PDE7A (0.52) MAPTPOLBLMNAPDE7A

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