SCHEMBL29635248

SCHEMBL29635248

CCOC(=O)c1c(C)nc(Cl)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE4D Q08499 1/20 0.47
HTT P42858 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL10995189 1.00 KDM4E (0.49) KDM4ELMNAPKMSMN1; SMN2GAA
SCHEMBL3637105 0.91 KDM4E (0.53) KDM4ELMNAPKMSMN1; SMN2GAA
SCHEMBL12575834 0.86 LMNA (0.51) KDM4ELMNAPKMSMN1; SMN2GAA
SCHEMBL12490739 0.83 KDM4E (0.47) KDM4ELMNAPKMSMN1; SMN2GAA
SCHEMBL31368630 0.81 KMT2A (0.41) KDM4ELMNASMN1; SMN2GAAALDH1A1
SCHEMBL62649 0.81 KMT2A (0.41) KDM4ELMNASMN1; SMN2GAAALDH1A1
SCHEMBL31368629 0.81 KMT2A (0.41) KDM4ELMNASMN1; SMN2GAAALDH1A1
SCHEMBL24747246 0.80 LMNA (0.44) KDM4ELMNAPKMSMN1; SMN2GAA
SCHEMBL14725188 0.80 ALDH1A1 (0.46) KDM4ELMNAPKMSMN1; SMN2GAA
SCHEMBL24683837 0.80 KDM4E (0.55) KDM4ELMNAPKMSMN1; SMN2GAA

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-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 CN disclosed