SCHEMBL20037077

SCHEMBL20037077

Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1ccc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 10/20 0.72
PRSS1 P07477 2/20 0.72
PRSS2 P07478 2/20 0.72
PRSS3 P35030 2/20 0.72
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RAB9A P51151 1/20 0.57
KLK7 P49862 1/20 0.55
KLK14 Q9P0G3 1/20 0.55
KLK5 Q9Y337 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL20037285 0.89 KLK6 (0.65) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037130 0.89 KLK6 (0.65) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037129 0.89 KLK6 (0.63) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037112 0.87 KLK6 (0.62) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037160 0.86 KLK6 (0.61) KLK6PRSS1PRSS2PRSS3RAB9A
SCHEMBL20037270 0.83 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037131 0.83 KLK6 (0.65) KLK6PRSS1PRSS2PRSS3RAB9A
SCHEMBL20037079 0.82 KLK6 (0.83) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037117 0.81 KLK6 (0.81) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037181 0.80 KLK6 (0.72) KLK6PRSS1PRSS2PRSS3RAB9A

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