SCHEMBL31296540

SCHEMBL31296540

COC(=O)c1cnc(OC)c(SCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.44
PSMD14 O00487 1/20 0.44
METAP2 P50579 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL26623811 1.00 L3MBTL1 (0.49) L3MBTL1PKMHPGDTSHRALDH1A1
SCHEMBL31535836 0.80 TP53 (0.40) L3MBTL1PKMHPGDTSHRALDH1A1
SCHEMBL6377477 0.79 LMNA (0.48) L3MBTL1HPGDTSHRALDH1A1RAB9A
SCHEMBL1806643 0.79 L3MBTL1 (0.56) L3MBTL1PKMHPGDTSHRALDH1A1
SCHEMBL31525412 0.78 MAPT (0.50) L3MBTL1PKMHPGDTSHRALDH1A1
SCHEMBL23833456 0.78 POLB (0.46) L3MBTL1PKMHPGDTSHRALDH1A1
SCHEMBL20680345 0.78 ALDH1A1 (0.41) L3MBTL1PKMHPGDALDH1A1RAB9A
SCHEMBL20304607 0.78 MAPT (0.43) L3MBTL1PKMHPGDTSHRALDH1A1
SCHEMBL26693895 0.78 GPBAR1 (0.42) L3MBTL1PKMHPGDALDH1A1RAB9A
SCHEMBL30642583 0.78 HPGD (0.47) L3MBTL1PKMHPGDTSHRALDH1A1

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-119137107-A Macrocyclic inhibitors of ATP citrate lyase 艾斯柏伦治疗公司 2024-12-13 CN disclosed