SCHEMBL18525595

SCHEMBL18525595

O=Cc1cc2nccc(O)c2cc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
IDO1 P14902 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
TYR P14679 2/20 0.40
TRIM24 O15164 2/20 0.40
TRIM33 Q9UPN9 2/20 0.40

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
SCHEMBL22959959 0.85 ERN1 (0.43) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL4587473 0.79 ERN1 (0.47) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL29935588 0.79 ERN1 (0.47) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL14128913 0.78 PDGFRB (0.38) ERN1KDM4EMEN1KMT2A
SCHEMBL24250212 0.78 IRAK4 (0.44) ERN1TYR
SCHEMBL29955516 0.75 KDM4E (0.47) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL29953180 0.74 MEN1 (0.50) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL9807462 0.74 MEN1 (0.50) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL12444115 0.72 TLR8 (0.47) KDM4ENPSR1CCR1CCR5CCR8
SCHEMBL8764571 0.71 CCR1 (0.53) ERN1KDM4EMEN1NPC1HSP90AA1

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-2017025849-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS PFIZER INC. (US) 2017-02-16 WO disclosed