SCHEMBL25545653

SCHEMBL25545653

N=C(N)C(=N)Nc1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.48
▸ HDAC3 O15379 14/20 0.48
▸ HDAC2 Q92769 14/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HDAC6 Q9UBN7 8/20 0.46
▸ HDAC10 Q969S8 7/20 0.46
▸ HDAC8 Q9BY41 7/20 0.46
▸ HDAC4 P56524 6/20 0.46
▸ HDAC7 Q8WUI4 6/20 0.46
▸ HDAC11 Q96DB2 6/20 0.46
▸ HDAC9 Q9UKV0 6/20 0.46
▸ HDAC5 Q9UQL6 6/20 0.46
▸ NCOR2 Q9Y618 5/20 0.46
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45

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
SCHEMBL1999856 0.83 HDAC3 (0.52) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL23843812 0.77 HDAC1 (0.52) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL11757742 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL250263 0.76 HDAC3 (0.64) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL18414365 0.75 L3MBTL1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1116302 0.74 L3MBTL1 (0.61) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL13850135 0.74 HDAC3 (0.52) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL2706062 0.72 HDAC3 (0.60) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL8456184 0.72 HDAC3 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC6
SCHEMBL9515806 0.71 NPC1 (0.67) HDAC1HDAC3HDAC2MAPK1HDAC6

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
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 — — EP disclosed
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