SCHEMBL7594698

SCHEMBL7594698

Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
CCR2 P41597 3/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
CRBN Q96SW2 1/20 0.46
MAPK1 P28482 1/20 0.46
CCKBR P32239 1/20 0.45
HK1 P19367 1/20 0.45
HKDC1 Q2TB90 1/20 0.45

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
SCHEMBL7573964 0.85 ALDH1A1 (0.65) ALDH1A1CCR2PKMKDM4EMEN1
SCHEMBL7593916 0.81 CCR2 (0.78) ALDH1A1CCR2PKMKDM4EMEN1
SCHEMBL6553589 0.80 MAPT (0.60) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL6554533 0.80 MAPT (0.60) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL7593692 0.79 ALDH1A1 (0.60) ALDH1A1CCR2PKMKDM4EMEN1
SCHEMBL6554529 0.79 MAPT (0.59) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL7587888 0.79 KEAP1 (0.54) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL323126 0.78 VCAM1 (0.64) ALDH1A1KMT2AMAPTMAPK1
SCHEMBL7573980 0.78 KDM4E (0.63) ALDH1A1CCR2PKMKDM4EMEN1
SCHEMBL7595588 0.77 CCR2 (0.65) ALDH1A1CCR2PKMKDM4EMEN1

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