SCHEMBL7708944

SCHEMBL7708944

Cc1ccc(S(=O)(=O)[N+]2(OS(C)(=O)=O)CCC(C(=O)NC(=N)N)=Cc3ccccc32)cc1

nearest known ligand 0.30

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOD2 Q9HC29 1/20 0.30
ANXA2 P07355 1/20 0.30
S100A10 P60903 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7708940 0.71 MEN1 (0.43) ALDH1A1LMNASMN1; SMN2
SCHEMBL7714804 0.68 HSD17B10 (0.35) LMNA
SCHEMBL7385061 0.67 LMNA (0.34) LMNAL3MBTL1
SCHEMBL7714547 0.66
SCHEMBL7386129 0.65 ALOX5 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL7382853 0.65 MAPT (0.31) ALDH1A1
SCHEMBL7378111 0.65
SCHEMBL7714563 0.64 LMNA (0.32) LMNA
SCHEMBL7712658 0.64 KMT2A (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL7708977 0.64 TAS1R3 (0.32) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed