SCHEMBL28811178

SCHEMBL28811178

CCOc1c(OC(F)F)cccc1N(CC)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 1/20 0.36
OGT O15294 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20555901 0.84 ESR1 (0.46) RAB9ATSHRALDH1A1LMNAHSD17B10
SCHEMBL28452996 0.80 GAA (0.46) KMT2ARAB9ATSHRALDH1A1LMNA
SCHEMBL28458116 0.75 ESR1 (0.50) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL16961866 0.71 MEN1 (0.44) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL16961840 0.71 MEN1 (0.44) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL16961864 0.70 MEN1 (0.43) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL16962168 0.68 KMT2A (0.44) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL16952601 0.68 MEN1 (0.41) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL16961842 0.68 MEN1 (0.41) KMT2AMEN1RAB9ATSHRALDH1A1
SCHEMBL16962166 0.67 MEN1 (0.43) KMT2AMEN1RAB9ATSHRALDH1A1

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
CN-110291065-B Novel isoindoline derivative, pharmaceutical composition and application thereof 康朴生物医药技术(上海)有限公司 2022-08-19 CN disclosed