SCHEMBL7199190

SCHEMBL7199190

Cc1ccc(S(=O)(=O)ON=C(N)NN=Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 5/20 0.49
KMT2A Q03164 4/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL916100 0.88 CA1 (0.49) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL917030 0.86 CA12 (0.47) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL915399 0.85 CA1 (0.48) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL915681 0.85 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL915664 0.85 KMT2A (0.50) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL2066512 0.84 KMT2A (0.58) ALDH1A1LMNAKMT2AHTTCYP1A2
SCHEMBL916837 0.83 KMT2A (0.47) ALDH1A1LMNAKMT2AHTTCYP1A2
SCHEMBL915009 0.83 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AHTTCYP1A2
SCHEMBL915975 0.83 MAPT (0.53) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL916886 0.83 KMT2A (0.58) ALDH1A1LMNAKMT2AHTTCYP1A2

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
US-6599943-B1 Preventive treatment, related to the radical generating nature of the xanthine dehydrogenase/xanthine oxidase WAPHARM AB (SE) 2003-07-29 US disclosed
EP-1007025-A1 USE OF HYDROXYGUANIDINES Wa Pharm AB (SE) 2000-06-14 EP disclosed
WO-1998023267-A1 USE OF HYDROXYGUANIDINES WAPHARM AB (SE) 1998-06-04 WO disclosed