SCHEMBL22182191

SCHEMBL22182191

Cc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2ccc3sc4ccccc4c3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
DUSP3 P51452 1/20 0.35
BLM P54132 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR3 P46089 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL19760321 0.89 GPR3 (0.41) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL22930686 0.86 MAPT (0.38) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL15434193 0.85 MAPT (0.35) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL22930695 0.85 MEN1 (0.35) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL18732175 0.82 PDK2 (0.37) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL24557138 0.80 MAPT (0.38) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL19299502 0.80 MEN1 (0.38) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL20371275 0.79 MIF (0.36) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL22930694 0.79 MAPT (0.39) MAPTMEN1POLBKMT2ADUSP3
SCHEMBL20224560 0.78 PDK2 (0.38) MAPTMEN1POLBKMT2ADUSP3

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-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 EP disclosed