SCHEMBL20385085

SCHEMBL20385085

NN/N=C(\Nc1ccccc1F)c1ccccc1-c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 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
SCHEMBL20385148 0.90 HTT (0.44) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385135 0.86 NPC1 (0.44) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385160 0.85 HTT (0.41) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385130 0.82 KDM4E (0.40) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385158 0.82 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385128 0.82 HTT (0.41) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385147 0.82 HPGD (0.48) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20385163 0.81 KCNN4 (0.38) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385150 0.80 ALDH1A1 (0.38) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20385084 0.80 KDM4E (0.40) HTTNPC1RAB9AMEN1KMT2A

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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