SCHEMBL20385131

SCHEMBL20385131

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ POLB P06746 3/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ 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
▸ KCNN4 O15554 1/20 0.35
▸ CA4 P22748 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
SCHEMBL20385128 0.88 HTT (0.41) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385142 0.87 HTT (0.40) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385141 0.86 KCNN4 (0.40) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385152 0.85 HTT (0.47) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385135 0.81 NPC1 (0.44) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385115 0.81 HTT (0.43) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385154 0.80 HTT (0.43) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL16919552 0.80 HTT (0.47) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385161 0.80 HTT (0.43) HTTPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20385121 0.80 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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