SCHEMBL20385123

SCHEMBL20385123

COc1ccccc1/N=C(/Nc1ccccc1N=N)c1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50
▸ GRIN3A Q8TCU5 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ KMT2A Q03164 2/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NOS3 P29474 2/20 0.36

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
SCHEMBL20385124 0.85 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385091 0.81 SIGMAR1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385118 0.81 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385168 0.81 SIGMAR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20385111 0.74 KMT2A (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2949130 0.70 KMT2A (0.72) KMT2AMETAP2TSHRSMN1; SMN2HSD17B10
SCHEMBL30758630 0.70 KMT2A (0.72) KMT2AMETAP2TSHRSMN1; SMN2HSD17B10
SCHEMBL20385169 0.70 SIGMAR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3325215 0.68 CA1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6156226 0.67 SIGMAR1 (1.00) 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 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
Send feedback