SCHEMBL6829246

SCHEMBL6829246

O=Cc1ccc(C(=O)Oc2ccc(Br)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
PRSS1 P07477 7/20 0.48
TMPRSS15 P98073 7/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6829604 0.85 PRSS1 (0.48) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6829309 0.84 KMT2A (0.49) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6826476 0.84 KMT2A (0.63) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6828651 0.84 PRSS1 (0.45) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6831061 0.84 MAPT (0.51) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6831080 0.81 MAPT (0.54) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6828603 0.81 KIF11 (0.44) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6828819 0.78 PRSS1 (0.40) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6826474 0.78 ALDH1A1 (0.41) KMT2AGLATSHRPRSS1TMPRSS15
SCHEMBL6831027 0.75 LMNA (0.51) KMT2APRSS1TMPRSS15LMNACYP1A2

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