SCHEMBL31459997

SCHEMBL31459997

CCOC(=O)c1cn(S(=O)(=O)N(C)C)nc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL31459970 0.84 ALDH1A1 (0.42) TSHRKDM4ELMNAL3MBTL1MEN1
SCHEMBL31459931 0.81 CYP4F2 (0.41) TSHRKDM4ELMNAL3MBTL1GAA
SCHEMBL31460329 0.80 BAZ2B (0.35) KDM4ELMNAGAAKMT2ACA12
SCHEMBL31459871 0.79 BAZ2B (0.39) TSHRKDM4ELMNAL3MBTL1GAA
SCHEMBL12491190 0.76 TSHR (0.47) TSHRKDM4EGAAMEN1KMT2A
SCHEMBL6853629 0.75 GAA (0.39) TSHRKDM4ELMNAL3MBTL1GAA
SCHEMBL13214896 0.73
SCHEMBL5906668 0.73 TSHR (0.43) JUNNFKB1NFKB2RELATSHR
SCHEMBL14901138 0.72 CYP2C9 (0.43) TSHRLMNAL3MBTL1GAAKMT2A
SCHEMBL22979644 0.69 TSHR (0.40) TSHRKDM4ELMNAGAAMEN1

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