SCHEMBL19001992

SCHEMBL19001992

c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
PLA2G2A P14555 3/20 0.33
PLA2G4A P47712 3/20 0.33
PLA2G10 O15496 1/20 0.32
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
ALOX5 P09917 1/20 0.31
KEAP1 Q14145 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL22183362 0.96 KDM4E (0.31) PLA2G2APLA2G4AKDM4EMEN1NPC1
SCHEMBL15870750 0.96 KDM4E (0.33) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL25495872 0.93 KDM4E (0.33) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL18457446 0.92 PLA2G2A (0.35) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL25496519 0.92 HSP90AA1 (0.35) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL23746290 0.92 HSP90AA1 (0.35) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL19218395 0.91 PLA2G2A (0.33) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL19218388 0.91 HSP90AA1 (0.32) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL19218382 0.91 HSP90AA1 (0.32) PLA2G2APLA2G4APLA2G10KDM4EMEN1
SCHEMBL15213665 0.89 AHR (0.33) PLA2G2APLA2G4AKDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed