SCHEMBL28624716

SCHEMBL28624716

OB(O)Oc1cnc(OCC(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TRPV3 Q8NET8 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL28451946 0.79
SCHEMBL28702984 0.78 L3MBTL1 (0.53) MAPTTRPV3L3MBTL1KDM4ECYP1A2
SCHEMBL2561733 0.78 L3MBTL1 (0.37) ALDH1A1MAPTTRPV3L3MBTL1KDM4E
SCHEMBL2414188 0.76 KDM4E (0.44) ALDH1A1MAPTTRPV3L3MBTL1KDM4E
SCHEMBL2185798 0.75 RXRA (0.38) ALDH1A1MAPTTRPV3L3MBTL1KDM4E
SCHEMBL17253107 0.75 L3MBTL1 (0.40) ALDH1A1MAPTTRPV3L3MBTL1KDM4E
SCHEMBL26654252 0.74 DGAT1 (0.41) ALDH1A1MAPTTRPV3L3MBTL1KDM4E
SCHEMBL21801801 0.71 EPHX2 (0.37) MAPTL3MBTL1MEN1KMT2A
SCHEMBL16908557 0.71 FTO (0.40)
SCHEMBL25164045 0.71 RXRA (0.40) ALDH1A1MAPTTRPV3L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272291-A Pyridazinone compound and use thereof 艾知怀斯治疗学公司 2021-08-17 CN disclosed
CN-113272280-A Pyridazinone compound and use thereof 艾知怀斯治疗学公司 2021-08-17 CN disclosed