SCHEMBL25329657

SCHEMBL25329657

Nc1cc(Br)ccc1NC(CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
FOLH1 Q04609 5/20 0.42
AAK1 Q2M2I8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KEAP1 Q14145 1/20 0.40
NAALAD2 Q9Y3Q0 3/20 0.39
RIMKLA Q8IXN7 1/20 0.39
GGH Q92820 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
TSHR P16473 1/20 0.37
MAPK10 P53779 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4821084 0.75 CYP1A2 (0.46) FOLH1KEAP1NAALAD2RIMKLAGGH
SCHEMBL1314840 0.74 AAK1 (0.43) AAK1KDM4EGAAALDH1A1
SCHEMBL28948390 0.74 HPGDS (0.40) FOLH1MMP8MMP13
SCHEMBL31520743 0.73 AAK1 (0.48) AAK1
SCHEMBL25928969 0.73 AAK1 (0.48) AAK1ALDH1A1
SCHEMBL22502529 0.73 AAK1 (0.48) AAK1ALDH1A1
SCHEMBL31444708 0.73 AAK1 (0.48) AAK1
SCHEMBL30493278 0.73 AAK1 (0.48) AAK1ALDH1A1
SCHEMBL5497074 0.72 MAPK14 (0.48) FOLH1
SCHEMBL4826994 0.72 ALDH1A1 (0.44) FOLH1KDM4ETDP1NAALAD2RIMKLA

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
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed