SCHEMBL20385168

SCHEMBL20385168

N=Nc1ccccc1N/C(=N/c1ccccc1N)c1ccccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.40
▸ GRIN2D O15399 4/20 0.40
▸ GRIN3B O60391 4/20 0.40
▸ GRIN1 Q05586 4/20 0.40
▸ GRIN2A Q12879 4/20 0.40
▸ GRIN2B Q13224 4/20 0.40
▸ GRIN2C Q14957 4/20 0.40
▸ GRIN3A Q8TCU5 4/20 0.40
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL20385169 0.89 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385118 0.84 ALDH1A1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385091 0.84 SIGMAR1 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385123 0.81 GRIN2D (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385090 0.80 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385120 0.79 ALDH1A1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385124 0.76 GRIN2D (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385093 0.71 HDAC1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20428699 0.69 GRIN2D (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20385174 0.67 SIGMAR1 (0.43) SIGMAR1L3MBTL1CASP3SENP8SENP7

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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