SCHEMBL31460434

SCHEMBL31460434

Cc1ccc(Cl)c(Cc2nn(S(=O)(=O)N(C)C)cc2C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
CLCN2 P51788 1/20 0.32
ACLY P53396 1/20 0.32
METAP2 P50579 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
CTSB P07858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL31459871 0.88 BAZ2B (0.39) GAASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL31460256 0.87 METAP2 (0.33) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL31460203 0.81 CYP2C19 (0.32) TSHR
SCHEMBL31459931 0.79 CYP4F2 (0.41) GAALMNATSHRALDH1A1L3MBTL1
SCHEMBL30706873 0.76 GAA (0.35) GAASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL31460329 0.72 BAZ2B (0.35) GAASMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL30706926 0.67 ALDH1A1 (0.41) GAASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL31459970 0.67 ALDH1A1 (0.42) SMN1; SMN2LMNATSHRALDH1A1L3MBTL1
SCHEMBL24536525 0.65 ALDH1A1 (0.37) GAASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL30706947 0.64 NR4A3 (0.36) GAASMN1; SMN2LMNATSHRALDH1A1

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-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed