SCHEMBL16631393

SCHEMBL16631393

CCc1cc2cnc(=O)[nH]c2[nH]c1=S

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
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
BTK Q06187 1/20 0.31

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
SCHEMBL18081778 0.80 BRD4 (0.33)
SCHEMBL18080518 0.79 BTK (0.33) BTK
SCHEMBL16631522 0.70 BRD4 (0.43) MAPTKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL18080522 0.66 BTK (0.39) BTK
SCHEMBL16631893 0.65 PYGL (0.40) MAPTKDM4E
SCHEMBL24836008 0.65 PDE9A (0.36) MAPTKDM4EALDH1A1KMT2ANOS3
SCHEMBL10326346 0.64 NOS3 (0.44) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL12462788 0.62 CDC7 (0.44) KDM4EALDH1A1KMT2ANOS3NOS1
SCHEMBL15335986 0.62 KDM4E (0.51) MAPTKDM4EALDH1A1RXFP1
SCHEMBL13153055 0.62 DAO (0.54) MAPTKDM4EALDH1A1NOS3NOS1

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