Sugi Predict

Sugi Predict / Compounds / SCHEMBL9702632

SCHEMBL9702632

SCHEMBL9702632

C/C=C/c1cc(-c2ccc(C#N)c(=O)[nH]2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAOB P27338 1/20 0.42
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL9702637 1.00 XDH (0.48) XDHKDM4EALDH1A1GLAGAA
SCHEMBL9701461 0.85 ALDH1A1 (0.47) XDHKDM4EALDH1A1GLAGAA
SCHEMBL9701458 0.85 ALDH1A1 (0.47) XDHKDM4EALDH1A1GLAGAA
SCHEMBL7371751 0.82 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL7371748 0.82 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701871 0.77 KDM4E (0.66) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526507 0.75 KDM4E (0.47) XDHKDM4EALDH1A1GLAGAA
SCHEMBL9526517 0.75 KDM4E (0.47) XDHKDM4EALDH1A1GLAGAA
SCHEMBL11174883 0.74 KDM4E (0.53) XDHKDM4EALDH1A1GLAGAA
SCHEMBL9526574 0.73 KDM4E (0.56) KDM4EALDH1A1GLAGAAL3MBTL1

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 — — WO disclosed