SCHEMBL20037243

SCHEMBL20037243

Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1cccs1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
HPGD P15428 1/20 0.78
ESR2 Q92731 1/20 0.78
KLK6 Q92876 10/20 0.74
PRSS1 P07477 3/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62
KLK7 P49862 1/20 0.62
KLK14 Q9P0G3 1/20 0.62
KLK5 Q9Y337 1/20 0.62
RAB9A P51151 1/20 0.59

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
SCHEMBL20037216 0.85 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037157 0.84 KLK6 (0.71) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20048453 0.83 KLK6 (0.88) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037057 0.83 KLK6 (0.70) POLBHPGDESR2KLK6PRSS1
SCHEMBL20037122 0.83 KLK6 (0.79) POLBKLK6PRSS1PRSS2PRSS3
SCHEMBL20037215 0.82 KLK6 (0.78) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037089 0.82 KLK6 (0.74) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037090 0.80 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037087 0.80 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037170 0.80 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3KLK7

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