SCHEMBL8928012

SCHEMBL8928012

O=C(CI)Nc1ccc(NOS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
PLA2G7 Q13093 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ENPP3 O14638 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
SCHEMBL9508261 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL15444335 0.77 MAPT (0.59) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL20299314 0.76 SNCA (0.46) CA2MEN1KMT2AMAPTL3MBTL1
SCHEMBL631327 0.73 SNCA (0.62) CA2MEN1KMT2AMAPTPOLB
SCHEMBL29407421 0.73 SNCA (0.62) CA2MEN1KMT2AMAPTPOLB
SCHEMBL31720743 0.73 SNCA (0.62) CA2MEN1KMT2AMAPTPOLB
SCHEMBL28208846 0.71 PRMT1 (0.50) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL22187521 0.71 CA2 (0.71) CA2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7036230 0.69 PRMT1 (0.51) CA2MEN1KMT2AMAPTCA12
SCHEMBL11710601 0.69 MEN1 (0.74) MEN1KMT2AMAPTPOLBL3MBTL1

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-0458901-B1 INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY MASSACHUSETTS INST TECHNOLOGY (US) 1997-12-17 EP disclosed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US disclosed