SCHEMBL28645698

SCHEMBL28645698

CCn1ncc2c(Cl)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.59
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
NR3C1 P04150 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SRC P12931 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29863560 1.00 XDH (0.59) XDHABL1BCRMEN1KMT2A
SCHEMBL2303091 0.86 NPC1 (0.51) XDHABL1BCRMEN1KMT2A
SCHEMBL11595465 0.82 SIGMAR1 (0.43) XDHLMNAHTTSRCMAPK1
SCHEMBL24393326 0.80 XDH (0.61) XDHABL1BCRMEN1KMT2A
SCHEMBL11596169 0.79 CYP1A2 (0.55) XDHABL1BCRKMT2ALMNA
SCHEMBL11981833 0.79 XDH (0.64) XDHABL1BCRMEN1KMT2A
SCHEMBL838709 0.77 ALDH1A1 (0.64) MEN1KMT2ALMNAGAAHTT
SCHEMBL22509965 0.77 XDH (0.57) XDHABL1BCRMEN1KMT2A
SCHEMBL23885052 0.77 KMO (0.42) XDHABL1BCRLMNAGAA
SCHEMBL24392123 0.76 XDH (0.56) XDHABL1BCRMEN1KMT2A

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-112826821-B Application of allopurinol derivative in preparation of medicine for preventing and/or treating diabetes 成都阿奇生物医药科技有限公司 2022-09-16 CN disclosed
CN-112826821-A Application of allopurinol derivative in preparation of medicine for preventing and/or treating diabetes 成都阿奇生物医药科技有限公司 2021-05-25 CN disclosed