SCHEMBL6937291

SCHEMBL6937291

Cc1cc(Sc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.39
PDE7A Q13946 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HTT P42858 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 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
SCHEMBL6938838 0.89 MAPT (0.40) LMNAMAPTHTTABCC9ABCC8
SCHEMBL6932470 0.88 ALDH1A1 (0.52) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL6930504 0.88 MAPT (0.38) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL6935504 0.86 MAPT (0.45) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL6932140 0.86 BCL2L1 (0.53) POLBLMNAALDH1A1PDE7ABCL2L1
SCHEMBL6935485 0.84 SLC9A1 (0.46)
SCHEMBL6935058 0.82 MAPT (0.41) POLBLMNAMAPTHTT
SCHEMBL6936990 0.81 SLC9A1 (0.42) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL6935496 0.80 SLC9A1 (0.57)
SCHEMBL6936874 0.79 PDE7A (0.47) LMNAMAPTPDE7ABCL2L1

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