SCHEMBL25263196

SCHEMBL25263196

Cc1cc(Br)cc(CC=O)c1N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATP4A P20648 1/20 0.30
ATP4B P51164 1/20 0.30

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
SCHEMBL1145124 0.80 ALDH1A1 (0.49) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL25261330 0.78 ATP4A (0.45) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL19018914 0.75 ALDH1A1 (0.36) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL3125416 0.74 HTR1D (0.37) ALDH1A1CYP1A2
SCHEMBL16011566 0.73 FFAR4 (0.36) ALDH1A1MAPTHTTTP53TSHR
SCHEMBL2223090 0.73 PYCR1 (0.44) ALDH1A1MAPTALOX15HSD17B10
SCHEMBL11624624 0.73 PRKCI (0.43) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL146892 0.72 ALDH1A1 (0.58) ALDH1A1MAPTTP53CYP3A4TSHR
SCHEMBL11621975 0.72 SLC6A4 (0.43) ALDH1A1MAPTHTTTP53CYP3A4
Hydrochloric Acid SCHEMBL11634772 0.71 ACHE (0.45) ALDH1A1MAPTHTTTP53CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214188-A1 A PROCESS FOR THE SYNTHESIS OF ANTHRANILIC ACID/AMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI Industries Ltd. (IN) 2023-07-26 EP disclosed
WO-2022058916-A1 A PROCESS FOR THE SYNTHESIS OF ANTHRANILIC ACID/AMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LIMITED (IN) 2022-03-24 WO disclosed