SCHEMBL10728126

SCHEMBL10728126

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
CDK1 P06493 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
RAPGEF3 O95398 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
SCHEMBL10731768 0.94 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL10761368 0.91 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL11190999 0.91 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL10915090 0.88 ALDH1A1 (0.51) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL5703485 0.88 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL6906447 0.87 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL6906441 0.87 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL10727527 0.87 ALDH1A1 (0.47) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10968644 0.87 GAA (0.50) GAACDK1MAPTTP53GLA
SCHEMBL11160142 0.86 GAA (0.53) GAACDK1MAPTTP53GLA

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-4681619-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1987-07-21 US claimed