SCHEMBL20037057

SCHEMBL20037057

Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1ccsc1Cl

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 11/20 0.70
PRSS1 P07477 4/20 0.59
PRSS2 P07478 4/20 0.59
PRSS3 P35030 4/20 0.59
KLK7 P49862 1/20 0.59
KLK14 Q9P0G3 1/20 0.59
KLK5 Q9Y337 1/20 0.59
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ESR2 Q92731 1/20 0.57
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL20037273 0.87 KLK6 (0.71) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037090 0.86 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037215 0.84 KLK6 (0.78) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037243 0.83 POLB (0.78) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037216 0.82 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037170 0.82 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037097 0.82 KLK6 (0.75) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037157 0.82 KLK6 (0.71) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037064 0.81 KLK6 (0.74) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037083 0.81 KLK6 (0.74) 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