SCHEMBL4752931

SCHEMBL4752931

NN=CNc1ccc(C(=O)Oc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.61
KLK1 P06870 3/20 0.61
TMPRSS2 O15393 1/20 0.61
TMPRSS15 P98073 6/20 0.48
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
F2 P00734 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
SRD5A2 P31213 1/20 0.43
PARP10 Q53GL7 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4752946 0.83 PRSS1 (0.66) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL15571972 0.80 PRSS1 (0.70) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL4752930 0.79 PRSS1 (0.61) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL11417275 0.77 PRSS1 (0.67) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL8660216 0.77 PRSS1 (0.64) PRSS1KLK1TMPRSS2TMPRSS15SRD5A2
SCHEMBL1649708 0.75 PRSS1 (1.00) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
Hydrochloric Acid SCHEMBL7563142 0.72 TP53 (0.44) PRSS1PRSS2PRSS3F2KDM4E
Hydrochloric Acid SCHEMBL7563152 0.72 TP53 (0.44) PRSS1PRSS2PRSS3F2KDM4E
SCHEMBL23001575 0.72 FTO (0.48) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL11313907 0.69 PRSS1 (0.49) PRSS1KLK1TMPRSS2TMPRSS15PRSS2

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-2008142397-A1 SERINE PROTEASE INHIBITORS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS SERENTIS LIMITED (GB) 2008-11-27 WO disclosed