SCHEMBL29280504

SCHEMBL29280504

COC(=O)c1cc(CBr)cnc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL30738741 0.91 CYP4F2 (0.46) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL2391237 0.91 CYP4F2 (0.46) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL30530135 0.88 CYP4F2 (0.44) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL28174771 0.88 CYP4F2 (0.44) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL28603823 0.85 CYP4F2 (0.52) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL13370901 0.85 KDM4E (0.39) KDM4EALDH1A1TSHRGAAMAPT
SCHEMBL28354036 0.84 CYP4F2 (0.41) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL7052671 0.84 KDM4E (0.40) KDM4EALDH1A1TSHRMAPTALOX15
Trimethylammonium SCHEMBL2411026 0.81 KDM4E (0.36) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL31271554 0.80 CYP4F2 (0.45) CYP4F2CYP4A11KDM4EALDH1A1TSHR

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-117756780-A Efficient and clean treatment method for synthesizing imazamox 江苏扬农化工股份有限公司 2024-03-26 CN disclosed