SCHEMBL8718202

SCHEMBL8718202

CC(O)SCc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPA1 O75762 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CASP3 P42574 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
SCHEMBL10585977 0.83 NPSR1 (0.47) ALDH1A1TRPA1L3MBTL1SMN1; SMN2NPSR1
SCHEMBL5015422 0.81 EPHX1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPSR1PPARG
SCHEMBL890348 0.76 ALDH1A1 (0.50) MEN1KMT2ANPC1ALDH1A1TDP1
SCHEMBL3138628 0.75 EPHX1 (0.42) ALDH1A1MAPK1LMNAHTTNPSR1
SCHEMBL5661937 0.72 LMNA (0.54) MEN1KMT2ACHRNA7RAB9AL3MBTL1
SCHEMBL9367913 0.72 MEN1 (0.50) MEN1KMT2ANPC1ALDH1A1TDP1
SCHEMBL18211430 0.72 ALDH1A1 (0.50) MEN1KMT2ANPC1ALDH1A1TDP1
Azobenzene SCHEMBL28663751 0.71 TRPA1 (0.48) MEN1KMT2ANPC1ALDH1A1TRPA1
SCHEMBL888217 0.70 CYP2C19 (0.44) MEN1KMT2ANPC1ALDH1A1TDP1
SCHEMBL888218 0.70 CYP2C19 (0.44) MEN1KMT2ANPC1ALDH1A1TDP1

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
US-5801155-A Covalently linked oligonucleotide minor grove binder conjugates EPOCH PHARMACEUTICALS, INC. (US) 1998-09-01 US disclosed