SCHEMBL6938838

SCHEMBL6938838

Cc1cc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
SLC9A1 P19634 3/20 0.39
HTT P42858 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL6937291 0.89 MEN1 (0.41) MAPTLMNAHTTABCC9ABCC8
SCHEMBL6938587 0.89 SLC6A2 (0.41) MAPTLMNASLC9A1HTTABCC9
SCHEMBL6936990 0.87 SLC9A1 (0.42) MAPTLMNASLC9A1GAA
SCHEMBL6936874 0.85 PDE7A (0.47) MAPTLMNASLC9A1
SCHEMBL6932534 0.85 SLC9A1 (0.44) SLC9A1SLC6A2SLC6A4
SCHEMBL6935058 0.82 MAPT (0.41) MAPTLMNASLC9A1HTTSLC6A2
SCHEMBL6935160 0.81 SLC9A1 (0.54) SLC9A1
SCHEMBL6932470 0.81 ALDH1A1 (0.52) MAPTLMNASLC9A1HTT
SCHEMBL6935504 0.79 MAPT (0.45) MAPTLMNAHTT
SCHEMBL6932140 0.79 BCL2L1 (0.53) LMNASLC9A1

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