SCHEMBL6938587

SCHEMBL6938587

CCc1cc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SLC9A1 P19634 5/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL6930504 0.89 MAPT (0.38) SLC6A4LMNAMAPTSLC9A1HTT
SCHEMBL6938838 0.89 MAPT (0.40) SLC6A2SLC6A4LMNAMAPTSLC9A1
SCHEMBL6935462 0.86 SLC9A1 (0.40) SLC6A2SLC6A4SLC6A3MAPTSLC9A1
SCHEMBL7075292 0.85 PDE7A (0.46) LMNAMAPTSLC9A1
SCHEMBL6935163 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SLC9A1ALDH1A1
SCHEMBL6932303 0.83 MAPT (0.40) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL6934420 0.82 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL7074544 0.81 ALDH1A1 (0.49) LMNAMAPTSLC9A1HTTALDH1A1
SCHEMBL6938107 0.80 MAPT (0.44) LMNAMAPTSLC9A1HTTALDH1A1
SCHEMBL6938143 0.80 BCL2L1 (0.48) MAPTSLC9A1ALDH1A1POLBL3MBTL1

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