SCHEMBL9524583

SCHEMBL9524583

CCCc1cc(-c2ccc(C#N)c(OC)n2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.55
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.43
ALOX5 P09917 2/20 0.41
HPGD P15428 7/20 0.41
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 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
SCHEMBL9528730 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525349 0.76 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9526075 0.75 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30250904 0.69 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL5127450 0.69 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL9846336 0.68 GAA (0.51) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8089097 0.68 ALOX5 (0.48) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL1937421 0.67 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525827 0.66 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9525815 0.66 KDM4E (0.48) 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