SCHEMBL20037112

SCHEMBL20037112

Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1ccc2cccc(Cl)c21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 7/20 0.62
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
LMNA P02545 5/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL20037077 0.87 KLK6 (0.72) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037033 0.85 KLK6 (0.77) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037129 0.84 KLK6 (0.63) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037130 0.84 KLK6 (0.65) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037285 0.80 KLK6 (0.65) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037090 0.80 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037160 0.79 KLK6 (0.61) KLK6PRSS1PRSS2PRSS3RAB9A
SCHEMBL20037131 0.77 KLK6 (0.65) KLK6PRSS1PRSS2PRSS3RAB9A
SCHEMBL20037270 0.77 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037081 0.76 KLK6 (0.72) KLK6PRSS1PRSS2PRSS3LMNA

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