SCHEMBL20037040

SCHEMBL20037040

CC(=N)/C(NC(=O)COC(=O)Cn1c(C)cc2ccccc21)=C(/C)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KLK6 Q92876 1/20 0.47
MAPT P10636 6/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MEN1 O00255 2/20 0.37
BCHE P06276 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL20037004 0.90 PRSS1 (0.51) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037275 0.90 KLK6 (0.54) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037222 0.88 PRSS1 (0.49) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037312 0.87 PRSS1 (0.47) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037282 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037199 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037136 0.85 PRSS1 (0.49) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037036 0.84 KLK6 (0.47) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037067 0.83 PRSS1 (0.52) PRSS1PRSS2PRSS3KLK6MAPT
SCHEMBL20037065 0.81 KLK6 (0.49) PRSS1PRSS2PRSS3KLK6MAPT

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