SCHEMBL9525967

SCHEMBL9525967

C/C=C/c1cc(-c2ccc(C#N)c(OC)n2)cc(/C=C/C(N)=O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
ALDH1A1 P00352 10/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 8/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 6/20 0.39
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HDAC8 Q9BY41 2/20 0.36
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
AR P10275 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHFR P00374 1/20 0.32
SQOR Q9Y6N5 1/20 0.32

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
SCHEMBL9525971 1.00 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9525994 0.91 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9525990 0.91 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9524667 0.89 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9524661 0.89 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9526260 0.86 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9526250 0.86 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9525815 0.79 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9525827 0.79 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9525457 0.78 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AHPGD

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed