SCHEMBL20385151

SCHEMBL20385151

N/N=C(\Nc1ccccc1F)c1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KAT6A Q92794 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 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
SCHEMBL20385152 0.86 HTT (0.47) HTTALDH1A1POLBSIGMAR1SMN1; SMN2
SCHEMBL20385135 0.82 NPC1 (0.44) HTTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL20385115 0.82 HTT (0.43) HTTALDH1A1POLBSIGMAR1SMN1; SMN2
SCHEMBL16919552 0.81 HTT (0.47) HTTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL20385161 0.81 HTT (0.43) HTTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL20385154 0.81 HTT (0.43) HTTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL20385126 0.81 HTT (0.39) HTTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL20385133 0.79 HTT (0.41) HTTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL20385156 0.79 HTT (0.41) HTTPOLBSIGMAR1SMN1; SMN2NPC1
SCHEMBL20385153 0.79 HTT (0.44) HTTALDH1A1POLBSMN1; SMN2NPC1

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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