SCHEMBL9525720

SCHEMBL9525720

CCCCCOc1cc(OC)ccc1-c1ccc(C#N)c(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.43
HPGD P15428 4/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL9529371 0.83 L3MBTL1 (0.46) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525541 0.75 ALDH1A1 (0.52) KDM4EALDH1A1L3MBTL1HPGDGAA
SCHEMBL4696778 0.72 AR (0.50) KDM4EALDH1A1L3MBTL1MAPTTDP1
SCHEMBL23462738 0.71 ALDH1A1 (0.48) KDM4EALDH1A1L3MBTL1MAPTTHRB
SCHEMBL13784760 0.70 AR (0.62) KDM4EALDH1A1THRBHPGDHTT
SCHEMBL12301282 0.69 CYSLTR2 (0.45) L3MBTL1MAPTTDP1THRBHPGD
SCHEMBL25852867 0.68 RARB (0.50) PTPN1TSHR
SCHEMBL7646373 0.67 L3MBTL1 (0.54) KDM4EALDH1A1L3MBTL1GAAHSD17B10
SCHEMBL28425205 0.67 ALDH1A1 (0.63) ALDH1A1HPGDAR
SCHEMBL28419965 0.67 ALDH1A1 (0.54) ALDH1A1HPGDAR

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