SCHEMBL19918564

SCHEMBL19918564

c1ccc2c(c1)-c1cccc3c1c-2cc1oc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc2c13

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
PLA2G10 O15496 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL19918571 0.95 PTGER4 (0.33) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL19918433 0.94 L3MBTL1 (0.31) ALDH1A1HPGDKDM4EL3MBTL1TSHR
SCHEMBL19918576 0.94 L3MBTL1 (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL19918568 0.93 L3MBTL1 (0.36) ALDH1A1HPGDKDM4EPLA2G2APLA2G4A
SCHEMBL19918431 0.90 L3MBTL1 (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL19918540 0.90 RAC2 (0.31) PLA2G2APLA2G4APLA2G10
SCHEMBL19918437 0.90 L3MBTL1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL19918651 0.90 KDM4E (0.36) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL19918526 0.90 KDM4E (0.36) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL19918626 0.90 KDM4E (0.36) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed