SCHEMBL20037022

SCHEMBL20037022

Cc1nn(C)c(C)c1NC(=O)COC(=O)Cn1c(C)cc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 6/20 0.77
PRSS1 P07477 1/20 0.77
PRSS2 P07478 1/20 0.77
PRSS3 P35030 1/20 0.77
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR2F2 P24468 1/20 0.45
MEN1 O00255 3/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 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
SCHEMBL20037270 0.87 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037005 0.85 KLK6 (0.89) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037078 0.84 KLK6 (0.77) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037221 0.84 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037137 0.84 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037015 0.82 KLK6 (0.66) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037280 0.82 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037009 0.82 KLK6 (0.73) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037080 0.82 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037153 0.82 KLK6 (0.68) KLK6PRSS1PRSS2PRSS3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed