SCHEMBL28600147

SCHEMBL28600147

Cc1nc(-c2ccc(OCc3ccc(C#N)c(C#N)c3)cc2)ncc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 13/20 0.71
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL28583618 0.91 XDH (0.62) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28583958 0.91 XDH (0.62) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28579549 0.91 XDH (0.62) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28589789 0.89 XDH (0.60) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28916532 0.86 SMN1; SMN2 (0.58) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28915921 0.82 XDH (0.76) XDHMRGPRX4
SCHEMBL28583717 0.81 XDH (0.53) XDH
SCHEMBL28581441 0.81 XDH (0.58) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28595695 0.81 XDH (0.81) XDH
SCHEMBL28577380 0.79 XDH (0.61) XDHMRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004208-A Compound for inhibiting xanthine oxidase activity and preparation method and application thereof 沈阳药科大学 2021-06-22 CN claimed
CN-113004208-A Compound for inhibiting xanthine oxidase activity and preparation method and application thereof 沈阳药科大学 2021-06-22 CN disclosed