SCHEMBL28794883

SCHEMBL28794883

CCOC(=O)CC(=O)Oc1nccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PKM P14618 1/20 0.41
CASP1 P29466 2/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NLRP3 Q96P20 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPID Q08752 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4535342 0.88 CHRNB2 (0.34) GAAMEN1KMT2ALMNAL3MBTL1
SCHEMBL2848902 0.81 KDM4E (0.44) GAACASP1MEN1HPGDKMT2A
SCHEMBL27870438 0.81 GAA (0.46) MGAMGAASIMGAM2PKM
SCHEMBL4535346 0.80 SMN1; SMN2 (0.34) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL27746548 0.79 ALDH1A1 (0.38) GAAKMT2AMAPTLMNAL3MBTL1
SCHEMBL15863371 0.76 MGAM (0.44) MGAMGAASIMGAM2PKM
SCHEMBL28773546 0.76 TDP1 (0.36) GAAPKMCASP1MEN1HPGD
SCHEMBL27870422 0.75 L3MBTL1 (0.48) MGAMGAASIMGAM2HPGD
SCHEMBL27853643 0.74 GAA (0.46) MGAMGAASIMGAM2PKM
SCHEMBL27853660 0.73 GAA (0.54) MGAMGAASIMGAM2PKM

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-101326176-B Pyridazine compound and use thereof SUMITOMO CHEMICAL CO 2012-05-30 CN disclosed