SCHEMBL9701458

SCHEMBL9701458

C/C=C/c1cc(-c2ccc(C#N)c(=O)[nH]2)ccc1OCCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
XDH P47989 2/20 0.40
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL9701461 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9701460 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7371751 0.86 KDM4E (0.57) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7371748 0.86 KDM4E (0.57) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9702632 0.85 XDH (0.48) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9702637 0.85 XDH (0.48) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9526844 0.84 KDM4E (0.55) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9701393 0.78 KDM4E (0.52) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9703127 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9700707 0.77 KDM4E (0.71) ALDH1A1KDM4EGLAGAAL3MBTL1

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