SCHEMBL30767754

SCHEMBL30767754

O=C(O)Cc1cc(F)cc(-c2cnn(C(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PTGS2 P35354 4/20 0.37
AGBL2 Q5U5Z8 1/20 0.35
KDM5A P29375 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
CFD P00746 1/20 0.33
MET P08581 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 1/20 0.33
GPER1 Q99527 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL4433133 0.81 MET (0.48) RXRARXRBRXRGAGBL2PTGDR2
SCHEMBL30767752 0.79 RXRA (0.45) RXRARXRBRXRGAGBL2PTGDR2
SCHEMBL30767760 0.77 PTGDR2 (0.45) RXRARXRBRXRGPTGDR2FFAR4
SCHEMBL17653810 0.77 PTGS2 (0.46) PTGS2ACHEFFAR4
SCHEMBL30767770 0.70 RXRA (0.43) RXRARXRBRXRGAGBL2PTGDR2
SCHEMBL8512 0.69 AKR1B1 (0.48) RXRARXRBRXRGAGBL2
SCHEMBL1560060 0.68 MET (0.48) CFDMETKCNH2
Hydrochloric Acid SCHEMBL3297493 0.67 AKR1B1 (0.46) RXRARXRBRXRGAGBL2
SCHEMBL23535770 0.67 BCL2L1 (0.46) RXRARXRBRXRGACHE
SCHEMBL30767774 0.67 RXRA (0.56) RXRARXRBRXRGFFAR4

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
WO-2024014851-A1 NOVEL PURINE DERIVATIVE COMPOUNDS AS HIF-1 PROTEIN INHIBITOR 주식회사 넥스트젠바이오사이언스 2024-01-18 WO disclosed