SCHEMBL20385115

SCHEMBL20385115

N/N=C(\Nc1ccccc1F)c1ccccc1-c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ POLB P06746 3/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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 0.90 HTT (0.47) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385135 0.86 NPC1 (0.44) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385154 0.84 HTT (0.43) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385161 0.84 HTT (0.43) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL16919552 0.84 HTT (0.47) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385133 0.82 HTT (0.41) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385156 0.82 HTT (0.41) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385153 0.82 HTT (0.44) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385151 0.82 HTT (0.41) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385121 0.81 HTT (0.43) HTTPOLBRAB9ANPC1SMN1; 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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