SCHEMBL18904009

SCHEMBL18904009

Cc1cnn(-c2ccc(CNc3ccc([S+]([O-])Nc4c(C)nn(C)c4C)cn3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 8/20 0.46
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18903961 0.86 NMT1 (0.52) NMT1LMNAHTTSMN1; SMN2
SCHEMBL16509568 0.80 NMT1 (0.72) NMT1LMNAHTTSMN1; SMN2
SCHEMBL18903804 0.76 NMT1 (0.68) NMT1LMNA
SCHEMBL18904119 0.76 NMT1 (0.44) NMT1LMNAHTTSMN1; SMN2
SCHEMBL16502968 0.74 NMT1 (0.42) NMT1LMNAHTTSMN1; SMN2
SCHEMBL18904205 0.73 NMT1 (0.45) NMT1
SCHEMBL18904020 0.73 NMT1 (0.45) NMT1LMNAHTTSMN1; SMN2
SCHEMBL16503019 0.72 NMT1 (0.41) NMT1LMNAHTTSMN1; SMN2
SCHEMBL18903984 0.70 NMT1 (0.52) NMT1
SCHEMBL18903967 0.69 NMT1 (0.53) NMT1LMNA

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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