SCHEMBL6930504

SCHEMBL6930504

CCc1cc(Sc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SLC6A4 P31645 1/20 0.38
HTT P42858 1/20 0.38
HPD P32754 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC9A1 P19634 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE7A Q13946 3/20 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
SCHEMBL6938587 0.89 SLC6A2 (0.41) MAPTLMNASLC6A4HTTHPD
SCHEMBL6937291 0.88 MEN1 (0.41) MAPTLMNAHTTABCC9ABCC8
SCHEMBL7074544 0.88 ALDH1A1 (0.49) MAPTLMNAHTTALDH1A1SLC9A1
SCHEMBL6938107 0.87 MAPT (0.44) MAPTLMNAHTTALDH1A1SLC9A1
SCHEMBL6938143 0.87 BCL2L1 (0.48) MAPTALDH1A1SLC9A1POLBPDE7A
SCHEMBL6935062 0.84 ICAM1 (0.40) SLC6A4SLC9A1
SCHEMBL6932303 0.83 MAPT (0.40) MAPTLMNASLC6A4HTTALDH1A1
SCHEMBL6935462 0.81 SLC9A1 (0.40) MAPTSLC6A4ALDH1A1SLC9A1MEN1
SCHEMBL6935425 0.81
SCHEMBL6937615 0.80 HPD (0.37) HPDSLC9A1

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