SCHEMBL7573980

SCHEMBL7573980

Cc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 11/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CCR2 P41597 3/20 0.59
PKM P14618 1/20 0.59
MAPT P10636 3/20 0.59
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
HTT P42858 1/20 0.52
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL7572360 0.88 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL7593692 0.84 ALDH1A1 (0.60) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL7573014 0.83 ALDH1A1 (0.68) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL17849557 0.83 PKM (0.71) KDM4EALDH1A1MEN1KMT2APKM
SCHEMBL7595588 0.82 CCR2 (0.65) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL7593916 0.81 CCR2 (0.78) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL6057029 0.80 CCR2 (0.64) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL7594698 0.78 ALDH1A1 (0.54) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL12067854 0.77 VCAM1 (0.69) KDM4EALDH1A1MEN1KMT2ACCR2
SCHEMBL7580299 0.77 ALDH1A1 (0.68) KDM4EALDH1A1MEN1KMT2ACCR2

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
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed