SCHEMBL24754331

SCHEMBL24754331

CCOC(=O)CC(=N)c1cc(Br)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HPGD P15428 4/20 0.47
CES2 O00748 1/20 0.47
GALR3 O60755 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL28675651 0.85 HPGD (0.50) LMNAHPGDCES2GALR3CYP1A2
SCHEMBL23116951 0.81 CA12 (0.42) HPGDCA12CA1CA2CA7
SCHEMBL24754328 0.79 HPGD (0.56) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL2313707 0.79 CA12 (0.70) LMNAHPGDCES2GALR3CYP1A2
SCHEMBL31083917 0.79 CA12 (0.70) LMNAHPGDCES2GALR3CYP1A2
SCHEMBL25372530 0.78 HPGD (0.49) LMNAHPGDCES2GALR3CYP1A2
SCHEMBL23116725 0.78 POLB (0.51) HPGDCA12CA1CA2CA7
SCHEMBL3527659 0.77 CA12 (0.46) LMNAHPGDCA12CA1CA2
SCHEMBL23115286 0.77 CA12 (0.62) LMNAHPGDCES2CA12CA1
SCHEMBL23714898 0.75 MIF (0.47) LMNAHPGDALOX15KMT2AMAPT

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-2022262782-A1 GLUTARIMIDE-SUBSTITUTED ISOXAZOLE FUSED RING COMPOUND, AND APPLICATION THEREOF 南京明德新药研发有限公司 2022-12-22 WO disclosed