SCHEMBL30451541

SCHEMBL30451541

c1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
ALDH1A1 P00352 4/20 0.34
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 1/20 0.34
CES1 P23141 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NR1H3 Q13133 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL19755563 0.92 MAPT (0.42) PGRMEN1KMT2AKDM4ELMNA
SCHEMBL2754774 0.89 GAA (0.44) PGRMEN1KMT2AKDM4ELMNA
SCHEMBL29776217 0.89 GAA (0.44) PGRMEN1KMT2AKDM4ELMNA
SCHEMBL18355700 0.89 MGLL (0.44) PGRMEN1KMT2AKDM4ELMNA
SCHEMBL15030646 0.87 GAA (0.43) PGRMEN1KMT2AKDM4ELMNA
SCHEMBL20152416 0.87 PGR (0.32) PGRNR1H3
SCHEMBL19075907 0.87 KDM4E (0.42) PGRKDM4EALDH1A1ATM
SCHEMBL12354654 0.86 ALDH1A1 (0.40) PGRMEN1KMT2AKDM4ELMNA
SCHEMBL22129285 0.85 MGLL (0.37) PGRKDM4EMGLLALDH1A1ESR1
SCHEMBL19953872 0.82 PDK2 (0.41) PGRALDH1A1CES2BCHEGAA

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-116240014-A Exciplex light-emitting system with multiple intersystem crossing channels and organic electroluminescent device 电子科技大学 2023-06-09 CN disclosed