SCHEMBL22484447

SCHEMBL22484447

N#Cc1ccc(-c2ccc3c(c2)-c2c(Cl)cccc2C32c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
RHEB Q15382 1/20 0.33
MDM2 Q00987 1/20 0.32
PLAU P00749 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
PGR P06401 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
SCHEMBL22484968 0.91 STK10 (0.35) PDK2MDM2GPR84KDM4EMEN1
SCHEMBL23257675 0.84 PDK2 (0.38) PDK2RHEBMDM2PLAUMEN1
SCHEMBL21343512 0.83 PDK2 (0.34) PDK2RHEBMDM2KDM4EMEN1
SCHEMBL21343105 0.81 ABCG2 (0.37) PDK2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL21343100 0.81 ABCG2 (0.37) PDK2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL21517227 0.80 PDK2 (0.46) PDK2PGR
SCHEMBL23256850 0.79 ABCG2 (0.35) PDK2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL23256853 0.79 ABCG2 (0.37) PDK2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL21343117 0.79 ABCG2 (0.37) PDK2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL23257114 0.79 ABCG2 (0.40) PDK2KDM4EMEN1ALDH1A1MAPT

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-2020197170-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME 주식회사 엘지화학 2020-10-01 WO disclosed