SCHEMBL4953376

SCHEMBL4953376

O=C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
CA2 P00918 4/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CYP1A2 P05177 1/20 0.42
USP2 O75604 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL4953368 1.00 KMT2A (0.54) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL4948262 0.88 KMT2A (0.53) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL4953490 0.84 ALDH1A1 (0.62) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL4953500 0.84 ALDH1A1 (0.62) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL4948782 0.79 CYP1A2 (0.67) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL4948774 0.79 CYP1A2 (0.67) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL19359545 0.73 MEN1 (0.57) KMT2AMEN1POLBTDP1CA2
SCHEMBL25834074 0.72 MEN1 (0.55) KMT2AMEN1POLBTDP1HTT
SCHEMBL4948187 0.71 KMT2A (0.49) KMT2AMEN1POLBTDP1MAPK1
SCHEMBL4948180 0.71 KMT2A (0.49) KMT2AMEN1POLBTDP1MAPK1

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-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed