SCHEMBL21037299

SCHEMBL21037299

c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17805125 0.96 KDM4E (0.35) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL17805107 0.95 KDM4E (0.36) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL25563645 0.95 ALOX5 (0.36) ALOX5
SCHEMBL21037296 0.94 ALOX5 (0.33) ALOX5
SCHEMBL25145463 0.93 ALOX5 (0.33) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL21037620 0.93 ALOX5 (0.33) ALOX5
SCHEMBL17854399 0.93 ALOX5 (0.33) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL21559103 0.93 ALOX5 (0.33) ALOX5
SCHEMBL17855660 0.93 ALOX5 (0.36) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL25563526 0.92 ALOX5 (0.34) ALOX5

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