SCHEMBL7932136

SCHEMBL7932136

COC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.43
CDK1 P06493 1/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR1 P21462 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL10921526 0.92 GAA (0.43) GAAKMT2ACDK1TP53NPC1
SCHEMBL10515589 0.92 HPGD (0.52) GAAKMT2ACDK1TP53NPC1
SCHEMBL275841 0.90 TP53 (0.42) GAAKMT2ATP53NPC1RAB9A
SCHEMBL10618405 0.89 TP53 (0.42) GAAKMT2ACDK1TP53NPC1
SCHEMBL8660576 0.88 NPC1 (0.39) GAAKMT2ATP53NPC1RAB9A
SCHEMBL27681404 0.88 KMT2A (0.38) GAAKMT2ATP53NPC1RAB9A
SCHEMBL28943274 0.88 HPGD (0.49) GAAKMT2ATP53NPC1RAB9A
SCHEMBL7798073 0.86 GAA (0.46) GAAKMT2ACDK1TP53GLA
SCHEMBL10545582 0.86 GAA (0.46) GAAKMT2ACDK1TP53NPC1
SCHEMBL10541783 0.84 GAA (0.44) GAAKMT2ACDK1TP53HPGD

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-6235680-B1 REDUCING SIDE EFFECT OF PESTICIDE HOECHST SCHERING AGREVO GMBH (DE) 2001-05-22 US disclosed