SCHEMBL31339591

SCHEMBL31339591

COC(=O)c1cn(CCO)c(=O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
GAA P10253 3/20 0.41
BRD4 O60885 2/20 0.41
MYC P01106 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
XDH P47989 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL1640291 0.88 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL30910244 0.85 CNR1 (0.49) GAABRD4TDP1NR4A2MEN1
SCHEMBL23146937 0.81 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL26235469 0.80 BRD4 (0.49) CA12CA1CA2CA7CA9
SCHEMBL31339611 0.79 SMN1; SMN2 (0.46) GAABRD4LMNAKDM4EL3MBTL1
SCHEMBL31339610 0.79 SMN1; SMN2 (0.46) GAABRD4LMNAKDM4EL3MBTL1
SCHEMBL1641959 0.79 KDM4E (0.48) BRD4LMNAKDM4ENR4A2SMN1; SMN2
SCHEMBL1642607 0.76 ALDH1A1 (0.43) BRD4KDM4ETSHRALDH1A1MEN1
SCHEMBL1642066 0.76 MAPK10 (0.46) CA12CA1CA2CA7CA9
SCHEMBL17156651 0.76 BAZ2B (0.47) CA12CA1CA2CA7CA9

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-119384422-A Pyridazinopyridone derivatives and uses thereof 四川汇宇制药股份有限公司 2025-01-28 CN disclosed