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SCHEMBL20828764

SCHEMBL20828764

c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5cccc6ccccc56)ccc5oc6ccccc6c45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.34
▸ CDC14B O60729 1/20 0.31
▸ CDC14A Q9UNH5 1/20 0.31
▸ KDM4E B2RXH2 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
▸ HSD17B10 Q99714 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
SCHEMBL20828759 0.93 ALOX5 (0.36) ALOX5CDC14BCDC14AKDM4EALDH1A1
SCHEMBL20828560 0.92 TDP1 (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL20828779 0.92 ALOX5 (0.36) ALOX5CDC14BCDC14AKDM4EALDH1A1
SCHEMBL20828763 0.88 ALOX5 (0.37) ALOX5CDC14BCDC14A
SCHEMBL20828564 0.87 MAPT (0.33) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL20828761 0.86 TDP1 (0.35) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL26433461 0.85 ALOX5 (0.36) ALOX5
SCHEMBL21206191 0.85 ALOX5 (0.41) ALOX5CDC14BCDC14AKDM4EALDH1A1
SCHEMBL25020331 0.84 ALOX5 (0.32) ALOX5KDM4EALDH1A1GAAMAPT
SCHEMBL20828590 0.84 SIGMAR1 (0.33) —

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-2019054599-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME (주)피엔에이치테크 2019-03-21 — — WO disclosed