SCHEMBL29375629

SCHEMBL29375629

Nc1ccc(N2Cc3ccccc3C2)nc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 12/20 0.79
GRIN3B O60391 12/20 0.79
GRIN1 Q05586 12/20 0.79
GRIN2A Q12879 12/20 0.79
GRIN2B Q13224 12/20 0.79
GRIN2C Q14957 12/20 0.79
GRIN3A Q8TCU5 12/20 0.79
CHRM1 P11229 5/20 0.47
ADRA1D P25100 5/20 0.47
ADRA1A P35348 5/20 0.47
ADRA1B P35368 5/20 0.47
HRH4 Q9H3N8 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22466096 1.00 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29499599 0.78 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.78 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23019651 0.78 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17191285 0.78 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20004113 0.78 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2395006 0.75 KMT2A (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22495310 0.75 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29377667 0.75 KMT2A (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL940331 0.75 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 CN disclosed
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed