SCHEMBL4452877

SCHEMBL4452877

O=C(O)c1c[nH]c2cc(F)ccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
HPGD P15428 3/20 0.67
CYP1A2 P05177 2/20 0.67
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 1/20 0.67
ALOX12 P18054 1/20 0.67
KMT2A Q03164 1/20 0.67
HSD17B10 Q99714 2/20 0.55
MDH2 P40926 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDO2 P48775 1/20 0.54

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
SCHEMBL30416773 1.00 KDM4E (0.77) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL2818109 0.90 KDM4E (0.66) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL30417250 0.90 KDM4E (0.66) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL6620700 0.87 KDM4E (1.00) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL18589525 0.82 CYP1A2 (0.64) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL30906941 0.81 F7 (0.66) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL12786892 0.81 CYP1A2 (0.62) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL4537810 0.81 CYP1A2 (0.62) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL2974546 0.81 ALDH1A1 (0.62) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL4342972 0.81 CYP1A2 (0.62) KDM4EHPGDCYP1A2ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009040377-A2 IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-04-02 WO claimed
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed
WO-2009040377-A2 IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-04-02 WO disclosed
WO-2009040377-A2 IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-04-02 WO disclosed