SCHEMBL9525815

SCHEMBL9525815

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.48
ALDH1A1 P00352 11/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
L3MBTL1 Q9Y468 5/20 0.40
HPGD P15428 12/20 0.34
MAPT P10636 8/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
DHFR P00374 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9525827 1.00 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9524667 0.89 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9524661 0.89 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9526250 0.85 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9526260 0.85 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525990 0.80 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525971 0.79 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525967 0.79 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525457 0.78 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525396 0.76 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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