SCHEMBL8300145

SCHEMBL8300145

CC(=O)N(C)c1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
S1PR4 O95977 3/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.39
ALDH1A1 P00352 7/20 0.39
TSPO P30536 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
FSCN1 Q16658 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL21592410 0.86 S1PR4 (0.47) SCN4AS1PR4RAB9ASMN1; SMN2KMT2A
SCHEMBL11506117 0.80 SCN4A (0.46) SCN4AS1PR4RAB9AKMT2ANPC1
SCHEMBL31093969 0.78 SCN4A (0.45) SCN4AS1PR4KMT2AALDH1A1HPGD
SCHEMBL10694745 0.77 TDP1 (0.40) RAB9ASMN1; SMN2KMT2ANPC1GAA
SCHEMBL11254342 0.77 S1PR4 (0.48) SCN4AS1PR4RAB9AKMT2ANPC1
SCHEMBL11396816 0.77 SCN4A (0.44) SCN4AS1PR4KMT2AGAAALDH1A1
SCHEMBL22423693 0.77 SCN4A (0.44) SCN4AS1PR4KMT2AGAAALDH1A1
SCHEMBL848904 0.76 ALDH1A1 (0.40) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL16302284 0.76 ALDH1A1 (0.37) RAB9ASMN1; SMN2KMT2ANPC1GAA
SCHEMBL6498228 0.76 GAA (0.38) SCN4AS1PR4RAB9AKMT2ANPC1

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
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 WO disclosed