SCHEMBL6829094

SCHEMBL6829094

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.42
TMPRSS15 P98073 4/20 0.42
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNA7 P36544 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CTDSP1 Q9GZU7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LDHA P00338 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6828835 0.84 LMNA (0.44) PRSS1TMPRSS15MAPTNPC1RAB9A
SCHEMBL6828740 0.84 MAPT (0.41) PRSS1TMPRSS15MAPTNPC1RAB9A
SCHEMBL6828754 0.84 KMT2A (0.42) PRSS1TMPRSS15MAPTNPC1RAB9A
SCHEMBL6831170 0.81 MAPT (0.50) PRSS1TMPRSS15MAPTNPC1RAB9A
SCHEMBL6829103 0.81 KIF11 (0.44) PRSS1TMPRSS15MAPTALDH1A1KMT2A
SCHEMBL6826064 0.78 CHRNA3 (0.39) PRSS1TMPRSS15MAPTNPC1RAB9A
SCHEMBL6831122 0.74 LMNA (0.50) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL2226671 0.73 NPSR1 (0.53) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6829229 0.72 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6826417 0.70 MRGPRX4 (0.35) PRSS1TMPRSS15MAPTNPC1RAB9A

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