SCHEMBL4474755

SCHEMBL4474755

COc1ccc(C(CC(O)=S)[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NTSR1 P30989 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 3/20 0.40
FFAR1 O14842 1/20 0.40
ACP3 P15309 1/20 0.40
SERPINH1 P50454 1/20 0.39

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
SCHEMBL3019212 0.74 ALDH1A1 (0.46) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL23211131 0.74 GAA (0.43) L3MBTL1MAPTLMNAALDH1A1KMT2A
SCHEMBL7255856 0.73 GAA (0.41) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL6280529 0.73 FBP1 (0.46) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL7258631 0.72 GAA (0.40) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL7258606 0.72 L3MBTL1 (0.40) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL27353569 0.71 KMT2A (0.46) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL23496067 0.71 KMT2A (0.55) MAPTLMNAHPGDALDH1A1HSP90AA1
SCHEMBL15676131 0.71 KMT2A (0.49) MAPTLMNAHPGDALDH1A1HSP90AA1
SCHEMBL23496064 0.71 KMT2A (0.55) MAPTLMNAHPGDALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598232-B2 Amino-substituted (E)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-10-06 US disclosed