SCHEMBL19760331

SCHEMBL19760331

Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3sc4ccccc4c3c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
DUSP3 P51452 1/20 0.36
BLM P54132 1/20 0.36
PTPN5 P54829 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN11 Q06124 1/20 0.36
MCL1 Q07820 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR3 P46089 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL19760321 0.88 GPR3 (0.41) MEN1POLBMAPTDUSP3BLM
SCHEMBL16855607 0.87 MEN1 (0.40) PDK2MEN1POLBMAPTDUSP3
SCHEMBL22930686 0.85 MAPT (0.38) MEN1POLBMAPTDUSP3BLM
SCHEMBL19760329 0.82 PDK2 (0.38) PDK2MAPTGPR3PTPN1
SCHEMBL20224560 0.82 PDK2 (0.38) PDK2MEN1POLBMAPTDUSP3
SCHEMBL20224562 0.81 PDK2 (0.35) PDK2MEN1POLBMAPTDUSP3
SCHEMBL18034315 0.81 KDM4E (0.37) PDK2MEN1POLBMAPTDUSP3
SCHEMBL20174701 0.79 PDK2 (0.41) PDK2GPR3PTPN1
SCHEMBL18732032 0.79 MEN1 (0.35) PDK2MEN1POLBMAPTDUSP3
SCHEMBL22930695 0.79 MEN1 (0.35) PDK2MEN1POLBMAPTDUSP3

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-20180006245-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-04 US disclosed