SCHEMBL18904098

SCHEMBL18904098

CC(=O)Nc1ccc([S+]([O-])Nc2c(C)nn(C)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL18903922 0.79 TP53 (0.44) L3MBTL1ALDH1A1MAPTKDM4EHTT
SCHEMBL16509619 0.76 L3MBTL1 (0.71) L3MBTL1ALDH1A1KDM4EHTTPOLB
SCHEMBL25379946 0.74 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1MAPTKDM4EHTT
SCHEMBL50204 0.72 GAA (0.61) L3MBTL1ALDH1A1MAPTKDM4EHTT
SCHEMBL18904084 0.69 MAPT (0.48) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL18903943 0.69 HRH3 (0.43) L3MBTL1ALDH1A1KDM4EHTTLMNA
SCHEMBL18903780 0.68 NMT1 (0.42) L3MBTL1MAPTKDM4EHTTTSHR
SCHEMBL18903996 0.68 NMT1 (0.51) —
SCHEMBL18904119 0.68 NMT1 (0.44) L3MBTL1ALDH1A1KDM4EHTTPOLB
SCHEMBL18903979 0.68 SMN1; SMN2 (0.37) ALDH1A1KDM4EHTTTSHRLMNA

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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