SCHEMBL9836762

SCHEMBL9836762

CCc1ncnc(NC(CC)c2ccc(OS(C)(=O)=O)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
RPS6KB1 P23443 5/20 0.35
CRHR1 P34998 2/20 0.34
AKT1 P31749 2/20 0.33
ACACB O00763 1/20 0.33
AURKA O14965 3/20 0.32
SCN1A P35498 3/20 0.32
SCN5A Q14524 3/20 0.32
SCN8A Q9UQD0 3/20 0.32

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
SCHEMBL9193841 0.82 CRHR1 (0.39) EGFRRPS6KB1CRHR1AKT1
SCHEMBL9523756 0.82 CRHR1 (0.39) EGFRRPS6KB1CRHR1AKT1ACACB
SCHEMBL9526898 0.81 RPS6KB1 (0.39) EGFRRPS6KB1AKT1ACACBAURKA
SCHEMBL9084666 0.81 PTGER4 (0.40) EGFRRPS6KB1CRHR1AURKA
SCHEMBL9216328 0.81 AURKA (0.42) EGFRRPS6KB1CRHR1AKT1AURKA
SCHEMBL9869337 0.80 TDP1 (0.38) EGFRCRHR1ACACB
SCHEMBL9775791 0.80 EGFR (0.36) EGFRRPS6KB1CRHR1AKT1ACACB
SCHEMBL9524682 0.80 EGFR (0.36) EGFRRPS6KB1CRHR1ACACB
SCHEMBL9215501 0.80 EGFR (0.36) EGFRRPS6KB1CRHR1AKT1AURKA
SCHEMBL9523823 0.80 CRHR1 (0.42) EGFRRPS6KB1CRHR1AKT1AURKA

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
EP-0424125-A2 Aralkylamine derivatives, preparation method thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1991-04-24 EP disclosed