SCHEMBL10824116

SCHEMBL10824116

CCCc1ccccc1NC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL4983970 0.90 POLB (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17777668 0.87 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8029769 0.85 MAPT (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11052193 0.84 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11057008 0.84 POLB (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29581095 0.84 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1953147 0.84 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2487614 0.84 TRPV1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31126451 0.82 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6920737 0.82 ALDH1A1 (0.51) 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
JP-61044942-A — — None — — JP disclosed
JP-S6144942-A STABILIZED (METH)ACRYLAMIDE POLYMER OR ITS AQUEOUS SOLUTION MITSUI TOATSU CHEM INC 1986-03-04 — — JP disclosed
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