SCHEMBL21037295

SCHEMBL21037295

CC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL21559389 1.00 PDK2 (0.38) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL25563001 0.99 PDK2 (0.39) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL21559400 0.97 MEN1 (0.38) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL16996073 0.97 PDK2 (0.39) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL21927033 0.97 MEN1 (0.38) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL24646500 0.97 PDK2 (0.39) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL21923955 0.97 MEN1 (0.38) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL16996388 0.96 MEN1 (0.39) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL21037288 0.95 PDK2 (0.35) PDK2MEN1KMT2AKDM4EMAPT
SCHEMBL21559367 0.95 KDM4E (0.38) PDK2MEN1KMT2AKDM4EMAPT

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-2019103397-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-05-31 WO disclosed