SCHEMBL30050323

SCHEMBL30050323

Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.75
TARBP2 Q15633 2/20 0.75
ABCC4 O15439 1/20 0.75
ABCB11 O95342 1/20 0.75
PGR P06401 1/20 0.75
CHRM1 P11229 1/20 0.75
PDE4A P27815 1/20 0.75
BLVRB P30043 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
ABCG2 Q9UNQ0 1/20 0.75
PPID Q08752 1/20 0.59
S1PR1 P21453 1/20 0.51
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC22A12 Q96S37 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
SCHEMBL27964511 1.00 XDH (0.75) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29655618 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31601 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL28910817 0.88 XDH (0.66) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL30858730 0.88 XDH (0.78) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1329734 0.87 XDH (0.60) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2635992 0.87 XDH (0.83) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL22745328 0.86 XDH (0.76) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL16363788 0.86 XDH (0.85) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL29398803 0.86 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR

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
CN-115305488-A High-energy material containing azide-tetrazole and preparation method thereof 福州大学 2022-11-08 CN disclosed