SCHEMBL31473364

SCHEMBL31473364

CC(C)n1c(=O)[nH]c2cc(C(=O)O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
B3GNT2 Q9NY97 3/20 0.59
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
AURKA O14965 1/20 0.48
PGR P06401 5/20 0.46
HCAR3 P49019 2/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27295279 1.00 POLB (0.68) POLBB3GNT2ALDH1A1KMT2AAURKA
SCHEMBL21839375 0.88 B3GNT2 (0.75) POLBB3GNT2AURKAPGR
SCHEMBL24815335 0.84 POLB (0.64) POLBB3GNT2ALDH1A1KMT2APGR
SCHEMBL30048927 0.84 POLB (0.64) POLBB3GNT2ALDH1A1KMT2APGR
SCHEMBL4345749 0.81 ALDH1A1 (0.57) POLBALDH1A1KMT2AHPGDKDM4E
SCHEMBL6054646 0.80 POLB (0.56) POLBB3GNT2ALDH1A1KMT2APGR
SCHEMBL1759317 0.80 ALDH1A1 (0.52) POLBB3GNT2ALDH1A1KMT2AAURKA
SCHEMBL29670373 0.80 ALDH1A1 (0.52) POLBB3GNT2ALDH1A1KMT2AAURKA
SCHEMBL6054640 0.78 POLB (0.63) POLBB3GNT2ALDH1A1KMT2AHPGD
SCHEMBL8349538 0.78 POLB (0.62) POLBALDH1A1PGR

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-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed