SCHEMBL19299502

SCHEMBL19299502

Cc1ccccc1-c1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2c1ccc1sc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
DUSP3 P51452 1/20 0.38
BLM P54132 1/20 0.38
PTPN5 P54829 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN11 Q06124 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC9A1 P19634 2/20 0.36
PDK2 Q15119 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
GPR3 P46089 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL19760318 0.86 MAPT (0.46) MEN1POLBMAPTDUSP3BLM
SCHEMBL19299411 0.85 MEN1 (0.38) MEN1POLBMAPTDUSP3BLM
SCHEMBL19299327 0.85 SLC9A1 (0.38) MEN1POLBMAPTDUSP3BLM
SCHEMBL22930694 0.85 MAPT (0.39) MEN1POLBMAPTDUSP3BLM
SCHEMBL22930614 0.84 MAPT (0.44) MEN1POLBMAPTDUSP3BLM
SCHEMBL19299506 0.83 PRKDC (0.36) POLBMAPTSLC9A1PDK2IDO1
SCHEMBL19298907 0.82 MEN1 (0.36) MEN1POLBMAPTDUSP3BLM
SCHEMBL19299395 0.81 SLC9A1 (0.38) MEN1POLBMAPTDUSP3BLM
SCHEMBL22930695 0.81 MEN1 (0.35) MEN1POLBMAPTDUSP3BLM
SCHEMBL19886870 0.80 MAPT (0.43) MEN1POLBMAPTDUSP3BLM

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
WO-2017144150-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-31 WO disclosed