SCHEMBL20385128

SCHEMBL20385128

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.41
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ POLB P06746 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ KCNN4 O15554 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL20385131 0.88 HTT (0.43) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385163 0.87 KCNN4 (0.38) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385148 0.86 HTT (0.44) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385085 0.82 HTT (0.42) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385160 0.81 HTT (0.41) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385158 0.78 HTT (0.39) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385147 0.78 HPGD (0.48) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20385130 0.78 KDM4E (0.40) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385150 0.76 ALDH1A1 (0.38) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL20385084 0.76 KDM4E (0.40) HTTRAB9ANPC1ALDH1A1MAPT

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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