SCHEMBL21343512

SCHEMBL21343512

N#Cc1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3-c3c(Cl)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
MDM2 Q00987 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30
FABP1 P07148 1/20 0.30
RHEB Q15382 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
SCHEMBL22484447 0.83 PDK2 (0.38) PDK2MDM2KDM4EMEN1ALDH1A1
SCHEMBL23257042 0.83 ABCG2 (0.35) PDK2FABP1
SCHEMBL21343136 0.83 ABCG2 (0.35) PDK2FABP1
SCHEMBL21343139 0.82 PDK2 (0.34) PDK2HPGD
SCHEMBL23257040 0.82 ABCG2 (0.35) PDK2
SCHEMBL23257141 0.81 ABCG2 (0.34) PDK2
SCHEMBL21343160 0.81 ABCG2 (0.34) PDK2
SCHEMBL21517227 0.81 PDK2 (0.46) PDK2
SCHEMBL23256863 0.81 ABCG2 (0.38) PDK2KDM4EMEN1HPGDKMT2A
SCHEMBL22484968 0.80 STK10 (0.35) PDK2MDM2KDM4EMEN1ALDH1A1

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-2019172699-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-12 WO disclosed