SCHEMBL8627783

SCHEMBL8627783

C#Cc1cccc2c1C(=O)N(c1ccccc1O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TYMS P04818 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TLR9 Q9NR96 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ANPEP P15144 2/20 0.43
DPP4 P27487 2/20 0.43
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HSPA1A P0DMV8 1/20 0.38
PABPC1 P11940 1/20 0.38
NR1H3 Q13133 1/20 0.36
NR1H2 P55055 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL9588431 0.83 ANPEP (0.58) MEN1KMT2ATYMSMAPTHTT
SCHEMBL2150841 0.78 MEN1 (0.55) MEN1KMT2AMAPTHTTTLR9
SCHEMBL8627785 0.76 ANPEP (0.43) MEN1KMT2AANPEPDPP4POLB
SCHEMBL7686000 0.75 HSPA1A (0.56) MEN1KMT2ATYMSMAPTHTT
SCHEMBL9327586 0.75 CTDSP1 (0.53) MEN1KMT2ATYMSMAPTHTT
SCHEMBL28505833 0.73 NPC1 (0.54) MEN1KMT2ATYMSMAPTHTT
SCHEMBL16601643 0.71 MEN1 (0.60) MEN1KMT2AMAPTHTTTLR9
SCHEMBL19411342 0.69 CA12 (0.57) MEN1KMT2ATYMSL3MBTL1POLB
SCHEMBL3447118 0.69 HSPA1A (0.41) TYMSCA2CA9ESR1HSPA1A
SCHEMBL3979412 0.68 KMT2A (0.60) MEN1KMT2APOLBLMNAHSPA1A

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
US-5780583-A Reactive polyarylene sulfide oligomers THE BOEING COMPANY (US) 1998-07-14 US disclosed