SCHEMBL20037033

SCHEMBL20037033

Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1c(C)cc2cccc(Cl)c21

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 8/20 0.77
PRSS1 P07477 2/20 0.77
PRSS2 P07478 2/20 0.77
PRSS3 P35030 2/20 0.77
LMNA P02545 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 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
SCHEMBL20037270 0.87 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037224 0.85 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037112 0.85 KLK6 (0.62) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037137 0.82 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037005 0.82 KLK6 (0.89) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037221 0.80 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037079 0.80 KLK6 (0.83) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037117 0.79 KLK6 (0.81) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037090 0.79 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3LMNA
SCHEMBL20037069 0.79 KLK6 (0.69) 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