SCHEMBL7346602

SCHEMBL7346602

CCOC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.85
HPGD P15428 5/20 0.85
L3MBTL1 Q9Y468 4/20 0.85
ALDH1A1 P00352 4/20 0.85
MEN1 O00255 2/20 0.85
GAA P10253 2/20 0.85
MAPT P10636 2/20 0.85
KMT2A Q03164 2/20 0.85
CYP1A2 P05177 2/20 0.85
CYP2C9 P11712 2/20 0.85
CYP2C19 P33261 2/20 0.85
TDP1 Q9NUW8 1/20 0.81
POLB P06746 1/20 0.69
ITGB3 P05106 13/20 0.67
ITGA2B P08514 13/20 0.67
ITGB2 P05107 1/20 0.61
ICAM1 P05362 1/20 0.61
ITGAL P20701 1/20 0.61

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
SCHEMBL1198997 0.92 KDM4E (0.71) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198891 0.91 KDM4E (0.85) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198615 0.90 KDM4E (0.83) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198047 0.89 KDM4E (0.82) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198295 0.89 KDM4E (0.82) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198576 0.86 KDM4E (0.83) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL1198425 0.85 KDM4E (0.78) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1197613 0.85 KDM4E (0.77) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198717 0.84 KDM4E (0.73) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198481 0.84 KDM4E (0.63) KDM4EHPGDL3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342851-A Useful in methods of treating reperfusion thrombosis injury MCNEIL-PPC, INC. (US) 1994-08-30 US disclosed