SCHEMBL29867597

SCHEMBL29867597

CC(=O)c1cccc(OC(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALPL P05186 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL26914818 1.00 KMT2A (0.46) KMT2AIRAK4HTTSMN1; SMN2ALDH1A1
SCHEMBL16961921 0.86 GAA (0.40) KMT2AHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1286684 0.84 IRAK4 (0.53) KMT2AIRAK4HTTSMN1; SMN2ALDH1A1
SCHEMBL13265348 0.83 KMT2A (0.43) KMT2AIRAK4HTTSMN1; SMN2ALDH1A1
SCHEMBL2481524 0.81 KMT2A (0.42) KMT2AIRAK4HTTSMN1; SMN2ALDH1A1
SCHEMBL7787275 0.80 SMN1; SMN2 (0.51) KMT2AHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16950472 0.80 GAA (0.37) KMT2AHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16960079 0.79 GAA (0.36) KMT2AHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL22646881 0.76 HTT (0.44) KMT2AIRAK4HTTSMN1; SMN2ALDH1A1
SCHEMBL12845255 0.76 KCNK3 (0.49) KMT2ASMN1; SMN2ALDH1A1LMNAKDM4E

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-114907341-A Pyridopyrimidinone derivatives, and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-08-16 CN disclosed