SCHEMBL30767752

SCHEMBL30767752

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.45
RXRB P28702 6/20 0.45
RXRG P48443 6/20 0.45
PDK2 Q15119 6/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
AGBL2 Q5U5Z8 2/20 0.35
CFD P00746 1/20 0.33
MET P08581 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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) RXRARXRBRXRGPTGDR2AGBL2
SCHEMBL27374336 0.81 KCNH2 (0.35) PDK2MET
SCHEMBL31456950 0.81 KCNH2 (0.35) PDK2MET
SCHEMBL30767754 0.79 RXRA (0.39) RXRARXRBRXRGPTGDR2AGBL2
SCHEMBL30767760 0.77 PTGDR2 (0.45) RXRARXRBRXRGPTGDR2
SCHEMBL1560060 0.70 MET (0.48) CFDMET
SCHEMBL30767777 0.70 RXRA (0.52) RXRARXRBRXRGAGBL2CFD
SCHEMBL30751455 0.70 GRM5 (0.40)
SCHEMBL30767770 0.70 RXRA (0.43) RXRARXRBRXRGPTGDR2AGBL2
SCHEMBL27374327 0.70 GRM5 (0.40)

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