SCHEMBL7074544

SCHEMBL7074544

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.39
SLC9A1 P19634 1/20 0.39
PTGES O14684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL6938143 0.90 BCL2L1 (0.48) ALDH1A1MAPTPOLBTDP1L3MBTL1
SCHEMBL6938107 0.90 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6935462 0.89 SLC9A1 (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6932470 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6930504 0.88 MAPT (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6935074 0.87 SLC6A2 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27363259 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6935937 0.84 SLC6A4 (0.40) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7075292 0.83 PDE7A (0.46) MAPTLMNAIDO1SLC9A1SMN1; SMN2
SCHEMBL6938587 0.81 SLC6A2 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA

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