SCHEMBL28542898

SCHEMBL28542898

N#Cc1ccc(OCc2ccc(Cl)cc2Cl)c(-n2cnnn2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.45
▸ MRGPRX4 Q96LA9 3/20 0.44
▸ SCN9A Q15858 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PTGER1 P34995 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL28911861 0.88 XDH (0.48) XDHMRGPRX4TSHR
SCHEMBL28552545 0.86 XDH (0.52) XDHMRGPRX4SCN9APTGER1KDM4E
Hydrochloric Acid SCHEMBL28547586 0.79 HDAC8 (0.42) PTGER1NR4A2HDAC8KDM4EPOLB
SCHEMBL28554957 0.77 XDH (0.52) XDHPTGER1KDM4EPOLBHSD17B10
SCHEMBL28550907 0.76 XDH (0.50) XDHTSHR
SCHEMBL28544806 0.76 XDH (0.46) XDHKDM4ETSHR
SCHEMBL28552594 0.75 ALDH1A1 (0.54) XDHKDM4ETSHR
SCHEMBL28539223 0.75 XDH (0.45) XDHKDM4ETSHR
SCHEMBL28556756 0.74 XDH (0.58) XDHMRGPRX4SLC6A4
SCHEMBL28542901 0.74 ALDH1A1 (0.65) XDHKDM4EPOLBTSHRHSD17B10

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-110156757-B Tetrazole type xanthine oxidase inhibitor compound and preparation method and application thereof 沈阳海诺威医药科技有限公司 2021-04-16 — — CN disclosed
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