SCHEMBL17465482

SCHEMBL17465482

Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPRT1 P00492 1/20 0.33
KIF11 P52732 1/20 0.33
AGTR1 P30556 1/20 0.31
FLT3 P36888 1/20 0.31
PTPRC P08575 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL25815148 0.99 PDK2 (0.41) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL16852527 0.99 PDK2 (0.41) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL16996139 0.99 PDK2 (0.43) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL16852534 0.97 PDK2 (0.40) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL16996428 0.97 PDK2 (0.42) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL18912545 0.97 PDK2 (0.42) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL17805085 0.97 PDK2 (0.42) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL19444946 0.96 PDK2 (0.41) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL13137303 0.96 PDK2 (0.39) PDK2ESR1ESR2MEN1KMT2A
SCHEMBL17854536 0.95 MEN1 (0.39) PDK2ESR1ESR2MEN1KMT2A

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-2016013816-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-01-28 WO disclosed