SCHEMBL6828754

SCHEMBL6828754

O=Cc1ccc(C(=O)Oc2ccc(F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
PRSS1 P07477 4/20 0.40
TMPRSS15 P98073 4/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TTR P02766 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
PLEC Q15149 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL6828740 0.84 MAPT (0.41) KMT2APOLBPRSS1TMPRSS15MEN1
SCHEMBL6828835 0.84 LMNA (0.44) KMT2ATDP1ATMPRSS1TMPRSS15
SCHEMBL6829094 0.84 PRSS1 (0.42) KMT2APOLBPRSS1TMPRSS15MEN1
SCHEMBL6829103 0.84 KIF11 (0.44) KMT2APRSS1TMPRSS15ALDH1A1MAPT
SCHEMBL6831170 0.81 MAPT (0.50) KMT2ATDP1PRSS1TMPRSS15MEN1
SCHEMBL6826137 0.80 TMPRSS15 (0.41) POLBTDP1PRSS1TMPRSS15KDM4E
SCHEMBL6826064 0.78 CHRNA3 (0.39) KMT2APRSS1TMPRSS15MEN1ALDH1A1
SCHEMBL6925215 0.77 PRSS1 (0.40) KMT2APRSS1TMPRSS15MEN1RAB9A
SCHEMBL6826110 0.76 PRSS1 (0.35) PRSS1TMPRSS15
SCHEMBL12644603 0.76 TTR (0.61) TTRCYP1A2

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
WO-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed