SCHEMBL31550177

SCHEMBL31550177

Cc1nc(-c2cc3cc(N4CCOCC4)cc(C#N)c3s2)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ XDH P47989 8/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ ABCC4 O15439 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ BLVRB P30043 1/20 0.41
▸ TARBP2 Q15633 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CCNT1 O60563 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL31550318 0.91 XDH (0.45) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550064 0.89 CSNK1D (0.46) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL31550236 0.82 XDH (0.41) PIK3CDPIK3CAPIK3CBXDHCNR1
SCHEMBL31550242 0.82 XDH (0.42) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550256 0.80 XDH (0.51) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550070 0.79 XDH (0.43) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550289 0.79 XDH (0.47) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550211 0.79 XDH (0.47) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550322 0.78 XDH (0.45) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31550304 0.77 XDH (0.46) XDHABCC4ABCB11PGRCHRM1

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-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 — — CN disclosed
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