SCHEMBL6932470

SCHEMBL6932470

Cc1ccc(Sc2cc(C)c(C(=O)N=C(N)N)cc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
SLC9A1 P19634 1/20 0.44
BCL2L1 Q07817 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6932140 0.91 BCL2L1 (0.53) ALDH1A1LMNAPOLBSLC9A1BCL2L1
SCHEMBL6935504 0.91 MAPT (0.45) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6937291 0.88 MEN1 (0.41) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6936990 0.88 SLC9A1 (0.42) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL7074544 0.88 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6934463 0.87 SLC6A2 (0.45) ALDH1A1LMNAPOLBMAPTSLC9A1
SCHEMBL27375128 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6936874 0.84 PDE7A (0.47) LMNAMAPTSLC9A1BCL2L1
SCHEMBL6938838 0.81 MAPT (0.40) LMNAMAPTHTTSLC9A1
SCHEMBL6932986 0.81 PDE7A (0.52) LMNAPOLBMAPTL3MBTL1

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