SCHEMBL18903780

SCHEMBL18903780

Cc1nn(C)c(C)c1N[S+]([O-])c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 8/20 0.42
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PLAU P00749 1/20 0.34

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
SCHEMBL16502957 0.81 PDE4D (0.39) NMT1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL18904084 0.74 MAPT (0.48) LMNAHTTSMN1; SMN2KDM4EMAPT
SCHEMBL18904173 0.73 NMT1 (0.55) NMT1
SCHEMBL8281840 0.72 ALDH1A1 (0.40) SMN1; SMN2L3MBTL1MAPK1
SCHEMBL18904149 0.71 CYP11B2 (0.38) NMT1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL18903920 0.71 MAPT (0.39) NMT1LMNAHTTL3MBTL1MAPT
SCHEMBL18904081 0.71 MAPT (0.41) NMT1LMNAHTTSMN1; SMN2MAPT
SCHEMBL18903785 0.70 LMNA (0.37) NMT1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL18903996 0.69 NMT1 (0.51) NMT1
SCHEMBL16502949 0.69 NMT1 (0.60) NMT1LMNAHTTSMN1; SMN2L3MBTL1

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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