SCHEMBL28544806

SCHEMBL28544806

C#CCOc1ccc(C#N)cc1-n1cnnn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL28550907 0.82 XDH (0.50) XDHALDH1A1TSHRKMT2ALMNA
SCHEMBL28539223 0.81 XDH (0.45) XDHALDH1A1TSHRKMT2AHCRTR1
SCHEMBL28542901 0.80 ALDH1A1 (0.65) XDHALDH1A1TSHRKMT2ALMNA
SCHEMBL28544577 0.80 XDH (0.46) XDHALDH1A1TSHRKMT2AHCRTR1
SCHEMBL28911861 0.79 XDH (0.48) XDHALDH1A1TSHRKMT2AHCRTR1
SCHEMBL28552551 0.79 XDH (0.58) XDHALDH1A1TSHRKMT2A
SCHEMBL28554957 0.79 XDH (0.52) XDHALDH1A1KDM4E
SCHEMBL28552545 0.79 XDH (0.52) XDHALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28551522 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKMT2A
SCHEMBL28552594 0.77 ALDH1A1 (0.54) XDHALDH1A1TSHRKMT2ALMNA

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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