SCHEMBL25413232

SCHEMBL25413232

O=C(O)c1ccc2cnn(Cc3cccc(F)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
PPARG P37231 2/20 0.52
PTGER4 P35408 3/20 0.49
KDM4C Q9H3R0 2/20 0.47
P2RY14 Q15391 1/20 0.46
RECQL P46063 1/20 0.46
NR4A2 P43354 2/20 0.45
FGFR1 P11362 1/20 0.44
FGFR4 P22455 1/20 0.44
CDK9 P50750 1/20 0.44
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
HCAR3 P49019 1/20 0.43
ALKBH1 Q13686 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30614165 1.00 EPHX2 (0.52) EPHX2PPARGPTGER4KDM4CP2RY14
SCHEMBL31633189 0.90 EPHX2 (0.62) EPHX2PPARGPTGER4KDM4CP2RY14
SCHEMBL28312593 0.87 RECQL (0.60) KDM4CRECQLHCAR3POLBTDP1
SCHEMBL30614157 0.87 EPHX2 (0.56) EPHX2PPARGPTGER4P2RY14FGFR1
SCHEMBL30614185 0.86 EPHX2 (0.52) EPHX2PPARGP2RY14FGFR1FGFR4
SCHEMBL25413348 0.86 EPHX2 (0.52) EPHX2PPARGP2RY14FGFR1FGFR4
SCHEMBL6840434 0.86 BRD4 (0.49) PTGER4KDM4CP2RY14RECQLFGFR1
SCHEMBL25409658 0.85 KMO (0.52) PTGER4P2RY14RECQLNR4A2HCAR3
SCHEMBL30614151 0.85 KMO (0.52) PTGER4P2RY14RECQLNR4A2HCAR3
SCHEMBL25411542 0.85 PTGER4 (0.52) EPHX2PPARGPTGER4KDM4CP2RY14

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-2023177249-A1 NOVEL BINARY HISTONE DEACETYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 숙명여자대학교산학협력단 2023-09-21 WO disclosed