SCHEMBL29209752

SCHEMBL29209752

Cc1ccc(C=NO)c(F)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.38
ALDH1A1 P00352 8/20 0.38
MAPT P10636 7/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 4/20 0.35
FGF23 Q9GZV9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 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
SCHEMBL30881655 1.00 HPGD (0.38) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL18502962 0.84 HPGD (0.38) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL18508559 0.84 HPGD (0.38) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL20150803 0.82 HPGD (0.37) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL20148179 0.82 HPGD (0.37) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL18508600 0.79 ALDH1A1 (0.38) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL1816565 0.79 HPGD (0.35) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL1816566 0.79 HPGD (0.35) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL18502983 0.79 ALDH1A1 (0.38) HPGDALDH1A1MAPTHTTTSHR
SCHEMBL20148177 0.77 L3MBTL1 (0.39) HPGDALDH1A1MAPTHTTTSHR

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-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed