SCHEMBL17033504

SCHEMBL17033504

c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)cc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
AHR P35869 2/20 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
SCHEMBL16066143 0.83 KDM4E (0.38) NPC1MAPTALDH1A1KDM4EMEN1
SCHEMBL20367710 0.83 NPC1 (0.36) NPC1MAPTALDH1A1KDM4EMEN1
SCHEMBL17033480 0.83 ALDH1A1 (0.33) NPC1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL17033509 0.83 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16066642 0.82 KDM4E (0.35) NPC1MAPTALDH1A1KDM4EMEN1
SCHEMBL17033489 0.82 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL17033738 0.82 MAPT (0.37) NPC1MAPTALDH1A1KDM4EMEN1
SCHEMBL16066540 0.81 MAPT (0.37) NPC1MAPTALDH1A1KDM4EMEN1
SCHEMBL1636995 0.81 MAPT (0.45) NPC1MAPTALDH1A1KDM4EMEN1
SCHEMBL9890227 0.80 MAPT (0.41) NPC1MAPTALDH1A1KDM4EMEN1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed