SCHEMBL25244752

SCHEMBL25244752

CCOC(=O)Cc1ccc(Cl)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL13481889 0.89 PKM (0.41) PKMKMT2AMEN1ATMMAPT
SCHEMBL3217730 0.88 MEP1A (0.45) PKMKMT2AMAPTTDP1NLRP3
SCHEMBL1626000 0.86 NLRP3 (0.48) PKMKMT2AMEN1ATMTDP1
SCHEMBL38652331 0.83 PKM (0.44) PKMKMT2AMAPTTDP1NLRP3
SCHEMBL1477877 0.83 PKM (0.44) PKMKMT2AMAPTTDP1NLRP3
SCHEMBL5151531 0.81 PKM (0.42) PKMKMT2AMEN1MAPTTDP1
SCHEMBL13532056 0.80 PKM (0.40) PKMKMT2AMEN1MAPTTDP1
SCHEMBL31045879 0.79 MTNR1A (0.45) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL3801839 0.79 HTT (0.46) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL28980523 0.79 P2RX7 (0.43) PKMMAPTKDM4ELMNARAB9A

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
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed