SCHEMBL6935462

SCHEMBL6935462

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
SCN2A Q99250 1/20 0.38
PDE7A Q13946 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 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
SCHEMBL7075292 0.89 PDE7A (0.46) SLC9A1SMN1; SMN2MAPTPDE7A
SCHEMBL6936990 0.89 SLC9A1 (0.42) SLC9A1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL7074544 0.89 ALDH1A1 (0.49) SLC9A1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL27372107 0.88 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MAPTPDE7A
SCHEMBL6938587 0.86 SLC6A2 (0.41) SLC9A1ALDH1A1POLBMAPTSLC6A2
SCHEMBL6935074 0.84 SLC6A2 (0.42) SLC9A1ALDH1A1SMN1; SMN2MAPTSLC6A2
SCHEMBL6935937 0.83 SLC6A4 (0.40) SLC9A1POLBSMN1; SMN2MAPTPDE7A
SCHEMBL6938143 0.83 BCL2L1 (0.48) SLC9A1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL6938107 0.83 MAPT (0.44) SLC9A1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL6930504 0.81 MAPT (0.38) SLC9A1ALDH1A1POLBMAPTPDE7A

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