SCHEMBL30300538

SCHEMBL30300538

CCOC(=O)c1cccc(NC(=O)c2sccc2C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
HSD17B10 Q99714 2/20 0.69
RAB9A P51151 11/20 0.65
PKM P14618 2/20 0.65
POLB P06746 1/20 0.65
NPC1 O15118 10/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
MAPT P10636 8/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
HPGD P15428 3/20 0.60
NFKB1 P19838 1/20 0.60
STAT1 P42224 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NR1H2 P55055 2/20 0.60
NR1H3 Q13133 2/20 0.60

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
SCHEMBL27245351 0.82 NR1H3 (0.64) MAPK1HSD17B10RAB9APKMPOLB
SCHEMBL29944893 0.82 NR1H3 (0.64) MAPK1HSD17B10RAB9APKMPOLB
SCHEMBL10613653 0.81 MAPK1 (0.57) MAPK1HSD17B10RAB9APKMPOLB
SCHEMBL6793571 0.80 RAB9A (0.76) MAPK1HSD17B10RAB9APKMPOLB
SCHEMBL7533552 0.80 NR1H3 (0.57) MAPK1HSD17B10RAB9APKMPOLB
SCHEMBL29944956 0.79 NR1H3 (0.63) MAPK1HSD17B10RAB9APOLBNPC1
SCHEMBL27245384 0.79 NR1H3 (0.63) MAPK1HSD17B10RAB9APOLBNPC1
SCHEMBL15183729 0.79 RAB9A (1.00) MAPK1HSD17B10RAB9APKMPOLB
SCHEMBL30300673 0.78 RAB9A (0.65) HSD17B10RAB9APKMPOLBNPC1
SCHEMBL14082936 0.78 MAPK1 (0.71) MAPK1HSD17B10RAB9APKMPOLB

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-2023028117-A1 METHODS OF TREATING CDGSH IRON SULFUR DOMAIN 2 INSUFFICIENCY-ASSOCIATED DISORDERS YEH, TENG-KUANG (US) 2023-03-02 WO disclosed