SCHEMBL16631936

SCHEMBL16631936

CCc1cc2ncc(C)[nH]c-2nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.33
SMPD3 Q9NY59 1/20 0.33
BTK Q06187 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AGTR1 P30556 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL16631937 0.83 KDM4E (0.37) HIF1ASMPD3KDM4ENOS3NOS1
SCHEMBL18081949 0.81 SMPD3 (0.35) HIF1ASMPD3BTKKDM4EMAPT
SCHEMBL16631474 0.79 DGAT1 (0.41)
SCHEMBL18080542 0.76 SMPD3 (0.32) HIF1ASMPD3BTKKDM4E
SCHEMBL16631930 0.73 HCAR2 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16631471 0.72 MAPK1 (0.37) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL18081816 0.68 KDM4E (0.41) SMPD3KDM4EMAPT
SCHEMBL16631336 0.67 PYGL (0.41) HIF1AKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16631478 0.67 HCAR2 (0.34)
SCHEMBL18081813 0.66 BTK (0.33) HIF1ABTK

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed