SCHEMBL18904159

SCHEMBL18904159

Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(-c2cc(CN3CCN(C)CC3)cc(OC(C)C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 16/20 0.48
▸ CHKA P35790 2/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL1868795 0.83 NMT1 (0.70) NMT1
SCHEMBL18904150 0.74 NMT1 (0.56) NMT1
SCHEMBL18903943 0.73 HRH3 (0.43) NMT1ALDH1A1
SCHEMBL18904018 0.72 NMT1 (0.65) NMT1
SCHEMBL3264662 0.72 ALDH1A1 (0.45) NMT1CHKAALDH1A1
SCHEMBL1852248 0.71 NMT1 (0.69) NMT1
SCHEMBL18904173 0.68 NMT1 (0.55) NMT1
SCHEMBL18903996 0.67 NMT1 (0.51) NMT1
SCHEMBL18904219 0.66 NMT1 (0.55) NMT1
SCHEMBL18903862 0.66 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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