SCHEMBL22958733

SCHEMBL22958733

c1cc2c3c(c1)Oc1cc(-c4cccc5oc6ccccc6c45)ccc1N3c1ccc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc1O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
BACE1 P56817 1/20 0.34
PLA2G2A P14555 4/20 0.33
PLA2G4A P47712 4/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PLA2G10 O15496 1/20 0.32
PRKDC P78527 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 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
SCHEMBL22958646 0.99 BACE1 (0.35) ALOX5BACE1PLA2G2APLA2G4ACASP3
SCHEMBL22958732 0.96 PLA2G2A (0.37) ALOX5BACE1PLA2G2APLA2G4ACASP3
SCHEMBL22958737 0.96 BACE1 (0.34) ALOX5BACE1PLA2G2APLA2G4ACASP3
SCHEMBL22958703 0.96 ALOX5 (0.37) ALOX5BACE1PLA2G2APLA2G4ACASP3
SCHEMBL22958697 0.94 CA12 (0.36) ALOX5BACE1PLA2G2APLA2G4ACASP3
SCHEMBL22958757 0.94 BACE1 (0.33) ALOX5BACE1PLA2G2APLA2G4ACASP3
SCHEMBL22958782 0.94 ALOX5 (0.36) ALOX5BACE1CASP3SENP7SENP6
SCHEMBL22958666 0.92 PLA2G2A (0.33) ALOX5BACE1PLA2G2APLA2G4APLA2G10
SCHEMBL20208646 0.92 ALOX5 (0.34) ALOX5BACE1PRKDCKDM4EMEN1
SCHEMBL29824930 0.92 ALOX5 (0.34) ALOX5BACE1PRKDCKDM4EMEN1

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
US-20210043852-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-11 US disclosed