SCHEMBL18903785

SCHEMBL18903785

Cc1nn(C)c(C)c1N[S+]([O-])c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NMT1 P30419 7/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL16509524 0.74 SMN1; SMN2 (0.33) LMNAHTTNMT1L3MBTL1SMN1; SMN2
SCHEMBL18903780 0.70 NMT1 (0.42) LMNAHTTMAPTNMT1L3MBTL1
SCHEMBL16502970 0.69 L3MBTL1 (0.61) LMNAHTTNMT1L3MBTL1SMN1; SMN2
SCHEMBL18903920 0.69 MAPT (0.39) LMNAHTTMAPTNMT1L3MBTL1
SCHEMBL18904148 0.68 NMT1 (0.40) LMNAHTTNMT1CRHBPCRHR2
SCHEMBL16502957 0.68 PDE4D (0.39) LMNAHTTNMT1L3MBTL1SMN1; SMN2
SCHEMBL18903990 0.68 NMT1 (0.40) LMNAHTTMAPTNMT1L3MBTL1
SCHEMBL18904132 0.67 NMT1 (0.44) MAPTNMT1
SCHEMBL18903917 0.67 L3MBTL1 (0.37) LMNAHTTMAPTNMT1L3MBTL1
SCHEMBL18904060 0.67 NMT1 (0.41) LMNAHTTMAPTNMT1L3MBTL1

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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