SCHEMBL20385124

SCHEMBL20385124

COc1ccccc1/N=C(/Nc1ccccc1N)c1ccccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 4/20 0.53
▸ GRIN3B O60391 4/20 0.53
▸ GRIN1 Q05586 4/20 0.53
▸ GRIN2A Q12879 4/20 0.53
▸ GRIN2B Q13224 4/20 0.53
▸ GRIN2C Q14957 4/20 0.53
▸ GRIN3A Q8TCU5 4/20 0.53
▸ SIGMAR1 Q99720 4/20 0.53
▸ HDAC1 Q13547 4/20 0.46
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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 0.86 SIGMAR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385123 0.85 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385090 0.82 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385120 0.81 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385111 0.77 KMT2A (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385168 0.76 SIGMAR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385093 0.73 HDAC1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385140 0.71 HDAC1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6156226 0.70 SIGMAR1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2949130 0.70 KMT2A (0.72) KMT2AMETAP2TSHRHSD17B10SMN1; SMN2

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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