SCHEMBL28556756

SCHEMBL28556756

N#Cc1ccc(OCc2cccc(Br)c2)c(-n2cnnn2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.58
▸ MRGPRX4 Q96LA9 5/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CCR5 P51681 1/20 0.42
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL28545051 0.87 XDH (0.58) XDHMRGPRX4HTR6
SCHEMBL28553152 0.85 XDH (0.56) XDHMRGPRX4
SCHEMBL28552545 0.81 XDH (0.52) XDHMRGPRX4CCR5
SCHEMBL28554957 0.81 XDH (0.52) XDH
SCHEMBL28552594 0.80 ALDH1A1 (0.54) XDH
Hydrochloric Acid SCHEMBL28546077 0.79 F2 (0.53) XDH
SCHEMBL28550909 0.79 XDH (0.51) XDH
SCHEMBL28911861 0.77 XDH (0.48) XDHMRGPRX4
SCHEMBL28550907 0.76 XDH (0.50) XDH
SCHEMBL28544806 0.76 XDH (0.46) XDH

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-110156769-B Compound with xanthine oxidase inhibitory activity and preparation method and application thereof 沈阳海诺威医药科技有限公司 2020-08-21 — — CN claimed
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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