SCHEMBL8675183

SCHEMBL8675183

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2N(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
CDK1 P06493 1/20 0.48
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
EDNRA P25101 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9418679 0.94 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL732548 0.91 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL8855373 0.89 GAA (0.50) GAACDK1MAPTTP53GLA
SCHEMBL8876516 0.87 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL9847509 0.86 GAA (0.54) GAACDK1MAPTTP53GLA
SCHEMBL8855192 0.86 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL9522827 0.85 GAA (0.58) GAACDK1MAPTTP53GLA
Nicosulfuron SCHEMBL8536419 0.85 CDK1 (0.59) GAACDK1MAPTTP53GLA
Nicosulfuron SCHEMBL22938 0.85 CDK1 (0.59) GAACDK1MAPTTP53GLA
Nicosulfuron SCHEMBL29440408 0.85 CDK1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759955-A SYNERGISTIC MIXTURES WITH OTHER HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-02 US claimed
US-5759955-A SYNERGISTIC MIXTURES WITH OTHER HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
US-5593942-A MIXTURES OF HERBICIDES WITH SYNERGISTIC COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed