SCHEMBL20219903

SCHEMBL20219903

C=C/C=C\c1c(CC)[nH]c2ccc3sc4ccccc4c3c12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 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
SCHEMBL16919516 0.70 GPR3 (0.50) MEN1POLBMAPTDUSP3BLM
SCHEMBL24947646 0.70 CNR2 (0.39) MEN1MAPTKMT2ATDP1
SCHEMBL22926739 0.69 TSHR (0.32) MEN1POLBMAPTDUSP3BLM
SCHEMBL25506960 0.69 MAPT (0.36) MEN1POLBMAPTDUSP3BLM
SCHEMBL29470196 0.66 TNKS (0.54) MEN1POLBMAPTDUSP3BLM
SCHEMBL1636537 0.66 TNKS (0.54) MEN1POLBMAPTDUSP3BLM
SCHEMBL22926631 0.65 TDP1 (0.32) MEN1POLBMAPTDUSP3BLM
SCHEMBL19266766 0.65 GPR3 (0.39) MEN1MAPTKMT2ATDP1
SCHEMBL1636538 0.65 GPR3 (0.68) MEN1POLBMAPTDUSP3BLM
SCHEMBL16572864 0.65 KIF11 (0.43) MEN1MAPTKMT2A

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-3330342-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME Heesung Material Ltd. (KR) 2018-06-06 EP disclosed