SCHEMBL20123586

SCHEMBL20123586

Fc1ccc2c(c1)CSc1c(Cl)cccc1C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B3 P37058 1/20 0.32
NOS3 P29474 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL20014568 0.84 NOTUM (0.39) HSD17B3CA1CA2CA4CA6
SCHEMBL20015248 0.82 HSD17B3 (0.39) MEN1KMT2AHSD17B3
SCHEMBL20123617 0.82 HSD17B3 (0.32) HSD17B3CA1CA2CA4CA6
SCHEMBL20015254 0.76 NOTUM (0.37) MEN1KMT2AHSD17B3CA1CA2
SCHEMBL20123626 0.75 NOTUM (0.36) GAAHSD17B3
SCHEMBL20123590 0.75 DRD2 (0.32) GAA
SCHEMBL20123554 0.74 HSD17B3 (0.43) GAAHSD17B3CA1CA2CA4
SCHEMBL20014487 0.72 AURKA (0.34) MEN1GAACASP6KMT2AHSD17B3
SCHEMBL24726885 0.71 CA1 (0.39) MEN1GAACASP6KMT2ANOS3
SCHEMBL6907006 0.70 CA1 (0.44) MEN1GAACASP6KMT2ACA1

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed