SCHEMBL6935937

SCHEMBL6935937

CCc1cc(Sc2ccccc2C)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC9A1 P19634 3/20 0.38
PDE7A Q13946 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8796619 0.88 PDE7A (0.50) SLC6A4SLC6A2SLC6A3ITGB2ICAM1
SCHEMBL6935074 0.88 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3MAPTSLC9A1
SCHEMBL6933378 0.88 LMNA (0.46) SLC6A4ITGB2ICAM1ITGALPOLB
SCHEMBL27353898 0.87 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3ITGB2ICAM1
SCHEMBL6932303 0.86 MAPT (0.40) SLC6A4SLC6A2SLC6A3POLBMAPT
SCHEMBL7074544 0.84 ALDH1A1 (0.49) POLBMAPTL3MBTL1SLC9A1MEN1
SCHEMBL6935462 0.83 SLC9A1 (0.40) SLC6A4SLC6A2SLC6A3ICAM1POLB
SCHEMBL6938107 0.81 MAPT (0.44) POLBMAPTSLC9A1PDE7AMEN1
SCHEMBL6938143 0.81 BCL2L1 (0.48) POLBMAPTL3MBTL1SLC9A1PDE7A
SCHEMBL7075292 0.81 PDE7A (0.46) MAPTSLC9A1PDE7ARAB9ASMN1; SMN2

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