SCHEMBL29638154

SCHEMBL29638154

c1ccc(Nc2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
OPRK1 P41145 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX12 P18054 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 2/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL15790305 1.00 PDK2 (0.50) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL23658889 0.97 MAPT (0.52) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL25701164 0.95 MAPT (0.51) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL20871538 0.94 MAPT (0.46) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL15739418 0.92 MAPT (0.45) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL17854636 0.92 PDK2 (0.49) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL30353955 0.91 PDK2 (0.54) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL17740522 0.91 PDK2 (0.54) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL19660875 0.91 HPGD (0.49) PDK2MAPTMEN1KMT2ALMNA
SCHEMBL23637518 0.90 PDK2 (0.48) PDK2MAPTMEN1KMT2ALMNA

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
CN-110291077-B Novel heterocyclic compound and organic light emitting device comprising the same 株式会社LG化学 2022-05-17 CN disclosed