SCHEMBL18904222

SCHEMBL18904222

Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(C#CCCC2CCN(C)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 19/20 0.68

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
SCHEMBL16854998 0.81 NMT1 (1.00) NMT1
SCHEMBL18904149 0.72 CYP11B2 (0.38) NMT1
SCHEMBL18904018 0.71 NMT1 (0.65) NMT1
SCHEMBL18904213 0.70 NMT1 (0.70) NMT1
SCHEMBL18904041 0.69 NMT1 (0.68) NMT1
SCHEMBL16503238 0.69 NMT1 (0.71) NMT1
SCHEMBL18903870 0.69 NMT1 (0.67) NMT1
SCHEMBL18903943 0.67 HRH3 (0.43) NMT1
SCHEMBL18903829 0.65 HRH3 (0.44) NMT1
SCHEMBL18904091 0.64 NMT1 (0.70) 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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