SCHEMBL4044510

SCHEMBL4044510

Cc1ccc(S(=O)(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2I)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
ACHE P22303 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
CCR6 P51684 1/20 0.44
GFER P55789 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL12615337 0.78 BCHE (0.46) KMT2AALDH1A1MEN1ACHEBCHE
SCHEMBL5960508 0.77 EGFR (0.56) MAPTKMT2AALDH1A1MEN1ACHE
SCHEMBL4047708 0.76 CTSV (0.45) KMT2AMEN1POLBPKMCDK2
SCHEMBL12614964 0.75 ALDH1A1 (0.49) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL12616027 0.74 CA1 (0.39) MAPTKMT2AALDH1A1MEN1CA12
SCHEMBL12722533 0.73 MAPT (0.59) MAPTKMT2AALDH1A1MEN1ACHE
SCHEMBL6577803 0.71 ACHE (0.75) MAPTKMT2AALDH1A1MEN1ACHE
SCHEMBL15330815 0.71 CCNE1 (0.47) MAPTKMT2AALDH1A1MEN1ACHE
SCHEMBL7366348 0.71 KMT2A (0.50) MAPTKMT2AALDH1A1MEN1ACHE
SCHEMBL29540314 0.69 GABRA1 (0.70) MAPTKMT2AALDH1A1MEN1POLB

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-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 WO disclosed