SCHEMBL20037078

SCHEMBL20037078

Cc1nn(-c2ccccc2N)c(C)c1NC(=O)COC(=O)Cn1c(C)cc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 10/20 0.77
PRSS1 P07477 2/20 0.77
PRSS2 P07478 2/20 0.77
PRSS3 P35030 2/20 0.77
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.43
KLK7 P49862 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
KLK5 Q9Y337 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL20037221 0.88 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037270 0.87 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037009 0.87 KLK6 (0.73) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037096 0.86 KLK6 (0.72) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037005 0.85 KLK6 (0.89) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037022 0.84 KLK6 (0.77) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037137 0.84 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037080 0.82 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037280 0.82 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3KDM4E
SCHEMBL20037039 0.79 KLK6 (0.77) KLK6PRSS1PRSS2PRSS3KDM4E

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