SCHEMBL30557262

SCHEMBL30557262

CC(C)OC(=O)C(CC(C)(C)C)c1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.40
AAK1 Q2M2I8 3/20 0.40
FPR2 P25090 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DGAT1 O75907 1/20 0.34
MCL1 Q07820 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL30557282 0.84 TDP1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL30557257 0.78 CYP1A2 (0.37) FPR2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4983684 0.74 FPR2 (0.39) APLNRAAK1FPR2LMNANPC1
SCHEMBL17927648 0.73 PDE2A (0.44) APLNRAAK1DGAT1MAPT
SCHEMBL14720356 0.70 APLNR (0.42) APLNRFPR2LMNARAB9ASMN1; SMN2
SCHEMBL27931108 0.69 AAK1 (0.45) APLNRAAK1FPR2LMNANPC1
SCHEMBL28977248 0.69 AAK1 (0.45) APLNRAAK1FPR2LMNANPC1
SCHEMBL27931107 0.69 APLNR (0.43) APLNRAAK1FPR2LMNANPC1
SCHEMBL27931106 0.69 APLNR (0.43) APLNRAAK1FPR2LMNANPC1
SCHEMBL2637191 0.69 FPR2 (0.47) APLNRFPR2LMNANPC1RAB9A

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-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 CN disclosed