SCHEMBL13827263

SCHEMBL13827263

c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.44
PLA2G4A P47712 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G10 O15496 1/20 0.39
PRKDC P78527 3/20 0.39
AHR P35869 1/20 0.36
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PTGER4 P35408 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL15470157 1.00 PLA2G2A (0.44) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL15470167 0.96 PLA2G2A (0.41) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL13827256 0.96 PLA2G2A (0.41) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL18545053 0.93 MMP12 (0.40) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL15470160 0.93 PLA2G2A (0.39) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL13827253 0.93 PLA2G2A (0.39) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL17278527 0.91 PLA2G2A (0.37) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL15497941 0.90 MMP12 (0.38) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL15470486 0.90 PLA2G2A (0.37) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD
SCHEMBL15470376 0.90 PLA2G2A (0.37) PLA2G2APLA2G4ASMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705552-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
US-20140061548-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent CmbH (DE) 2014-03-06 US disclosed
US-20140061548-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent CmbH (DE) 2014-03-06 US disclosed
WO-2012150001-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-08 WO disclosed