SCHEMBL6933378

SCHEMBL6933378

CCc1cc(Sc2ccccc2Cl)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A4 P31645 2/20 0.46
PDE7A Q13946 5/20 0.45
USP7 Q93009 1/20 0.44
SLC9A1 P19634 1/20 0.44
MAPT P10636 4/20 0.43
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6935937 0.88 SLC6A4 (0.40) RAB9ASLC6A4PDE7ASLC9A1MAPT
SCHEMBL8796619 0.88 PDE7A (0.50) LMNASLC6A4PDE7ASLC9A1MAPT
SCHEMBL27531424 0.87 LMNA (0.48) LMNAALDH1A1RAB9ASLC6A4PDE7A
SCHEMBL6937471 0.87 SLC6A4 (0.47) LMNAALDH1A1RAB9ASLC6A4PDE7A
SCHEMBL6932303 0.85 MAPT (0.40) LMNAALDH1A1SLC6A4PDE7ASLC9A1
SCHEMBL6938143 0.84 BCL2L1 (0.48) ALDH1A1PDE7AUSP7SLC9A1MAPT
SCHEMBL7075292 0.84 PDE7A (0.46) LMNARAB9APDE7AUSP7SLC9A1
SCHEMBL6935074 0.81 SLC6A2 (0.42) LMNAALDH1A1RAB9ASLC6A4SLC9A1
SCHEMBL7074544 0.81 ALDH1A1 (0.49) LMNAALDH1A1SLC9A1MAPTL3MBTL1
SCHEMBL6935462 0.80 SLC9A1 (0.40) ALDH1A1SLC6A4PDE7ASLC9A1MAPT

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