SCHEMBL6935074

SCHEMBL6935074

CCc1cc(Sc2ccc(C)cc2C)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SLC9A1 P19634 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6934463 0.89 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL6935937 0.88 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3MAPTSLC9A1
SCHEMBL27364389 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL7074544 0.87 ALDH1A1 (0.49) MAPTALDH1A1SLC9A1SMN1; SMN2LMNA
SCHEMBL6935462 0.84 SLC9A1 (0.40) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL6933378 0.81 LMNA (0.46) SLC6A4MAPTALDH1A1SLC9A1RAB9A
SCHEMBL8796619 0.81 PDE7A (0.50) SLC6A2SLC6A4SLC6A3MAPTSLC9A1
SCHEMBL6935490 0.80 SLC9A1 (0.39) SLC9A1
SCHEMBL6935236 0.80 SLC9A1 (0.51) SLC9A1
SCHEMBL6938107 0.80 MAPT (0.44) MAPTALDH1A1SLC9A1SMN1; SMN2LMNA

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