SCHEMBL31511880

SCHEMBL31511880

CCCCC(=O)N(O)c1nc(C(N)=O)nc2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ CDK1 P06493 4/20 0.38
▸ CCNB1 P14635 4/20 0.38
▸ CCNA2 P20248 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNA1 P78396 3/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ XDH P47989 7/20 0.38
▸ MGMT P16455 2/20 0.36
▸ MAP3K5 Q99683 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL31439422 0.79 HTT (0.59) HTTNCOA1SMN1; SMN2NCOA3CDK2
SCHEMBL28418228 0.75 CYP1A2 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL31360592 0.75 CYP1A2 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29002285 0.68 CYP1A2 (0.35) SMN1; SMN2CDK1CCNB1CCNA2CDK2
SCHEMBL31360537 0.68 CYP1A2 (0.35) SMN1; SMN2CDK1CCNB1CCNA2CDK2
SCHEMBL28960559 0.67 CYP1A2 (0.53) HTTNCOA1SMN1; SMN2NCOA3CDK1
SCHEMBL28863081 0.66 CDK1 (0.48) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5468655 0.66 CDK1 (0.48) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL31511883 0.66 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31599206 0.65 HDAC1 (0.40) CDK1XDHMGMTHDAC1HDAC2

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-119948165-A Compositions and methods for preparing capped circular RNA molecules 博德研究所 2025-05-06 — — CN disclosed
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