SCHEMBL28787698

SCHEMBL28787698

O=C(O)Cc1coc(-c2cccc(Cl)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IKBKB O14920 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
NR4A2 P43354 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL27539136 0.84 FFAR1 (0.45) FFAR1NPC1RAB9AL3MBTL1GAA
SCHEMBL4415483 0.84 LMNA (0.58) FFAR1GAALMNATSHR
SCHEMBL24883421 0.83 LMNA (0.44) FFAR1GAALMNATSHRSMN1; SMN2
SCHEMBL24883415 0.83 PPARA (0.52) FFAR1NPC1RAB9AGAAMAPT
SCHEMBL1544953 0.82 FFAR1 (0.53) FFAR1NPC1RAB9AL3MBTL1IKBKB
Hydrochloric Acid SCHEMBL1374005 0.82 LMNA (0.57) FFAR1GAALMNATSHR
SCHEMBL4944035 0.82 FFAR1 (0.53) FFAR1NPC1RAB9AL3MBTL1IKBKB
SCHEMBL21357696 0.81 FFAR1 (0.51) FFAR1NPC1RAB9AL3MBTL1IKBKB
SCHEMBL5117052 0.79 HDAC1 (0.56) FFAR1GAALMNATP53TSHR
SCHEMBL2868465 0.78 ADRB2 (0.55) FFAR1NPC1RAB9AL3MBTL1IKBKB

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
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN disclosed