SCHEMBL18904091

SCHEMBL18904091

CC(C)c1nn(C)c(C(C)C)c1N[S+]([O-])c1ccc(CCCC2CCN(C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 19/20 0.70
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL13457716 0.83 NMT1 (1.00) NMT1KCNH2
SCHEMBL18904213 0.80 NMT1 (0.70) NMT1
SCHEMBL16503238 0.76 NMT1 (0.71) NMT1
SCHEMBL17490652 0.74 NMT1 (0.68) NMT1KCNH2
SCHEMBL18903870 0.73 NMT1 (0.67) NMT1
SCHEMBL17490730 0.70 NMT1 (0.71) NMT1
SCHEMBL18904041 0.69 NMT1 (0.68) NMT1
SCHEMBL18904076 0.68 NMT1 (0.71) NMT1
SCHEMBL18904018 0.66 NMT1 (0.65) NMT1
SCHEMBL18903862 0.65 NMT1 (0.69) NMT1

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-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
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