SCHEMBL20385169

SCHEMBL20385169

Nc1ccccc1/N=C(/Nc1ccccc1N)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.44
▸ GRIN2D O15399 3/20 0.44
▸ GRIN3B O60391 3/20 0.44
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2A Q12879 3/20 0.44
▸ GRIN2B Q13224 3/20 0.44
▸ GRIN2C Q14957 3/20 0.44
▸ GRIN3A Q8TCU5 3/20 0.44
▸ HDAC3 O15379 8/20 0.41
▸ HDAC1 Q13547 8/20 0.41
▸ HDAC2 Q92769 8/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 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
SCHEMBL20385090 0.90 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385120 0.89 ALDH1A1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385168 0.89 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385124 0.86 GRIN2D (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385093 0.81 HDAC1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385091 0.75 SIGMAR1 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385167 0.74 HDAC1 (0.61) HDAC3HDAC1HDAC2MAPK1HDAC8
SCHEMBL20385118 0.72 ALDH1A1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385134 0.70 POLB (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385123 0.70 GRIN2D (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-2867215-B1 TETRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2018-07-18 — — EP disclosed
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