SCHEMBL31421769

SCHEMBL31421769

CC(C)COc1ccc(-c2ccc3nc(CO)cn3c2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.51
SLC22A12 Q96S37 1/20 0.50
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PGR P06401 1/20 0.48
CHRM1 P11229 1/20 0.48
PDE4A P27815 1/20 0.48
BLVRB P30043 1/20 0.48
TARBP2 Q15633 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL31421773 0.81 XDH (0.52) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL31573 0.78 XDH (0.69) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL23915308 0.72 MBOAT4 (0.33) XDH
SCHEMBL31421716 0.72 XDH (0.45) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31421747 0.71 XDH (0.45) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31421717 0.70 XDH (0.71) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL21445784 0.70 XDH (0.71) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL31421752 0.69 XDH (0.55) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL30771640 0.69 XDH (0.57) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL30309759 0.69 XDH (0.61) XDHSLC22A12ABCC4ABCB11PGR

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-2025080071-A1 NOVEL FEBUXOSTAT DERIVATIVE AND USE THEREOF 연세대학교 산학협력단 2025-04-17 WO disclosed