SCHEMBL29145339

SCHEMBL29145339

Cc1cc(Cl)cc(C(N)=O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
ADRA1D P25100 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE4B Q07343 1/20 0.36
GRM2 Q14416 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAP2 P11137 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DGAT1 O75907 1/20 0.35
NNMT P40261 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 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
SCHEMBL1812602 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2CYP3A4
SCHEMBL29145350 0.82 BCL2L1 (0.36) ALDH1A1HPGDCYP3A4BCL2L1
SCHEMBL3347815 0.80 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL29373932 0.78 KDM4E (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL11866049 0.78 BCL2L1 (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL19646057 0.78 KDM4E (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL25381284 0.78 ABL1 (0.45) ALDH1A1GAAHPGDRAB9ASMN1; SMN2
SCHEMBL29145347 0.77 KDM4E (0.44) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31143744 0.74 L3MBTL1 (0.42) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL24616067 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EGLAGAAPOLB

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-107674068-B Method for synthesizing chlorantraniliprole derivative intermediate 浙江工业大学 2023-12-19 CN disclosed