SCHEMBL20037015

SCHEMBL20037015

COc1ccc(Cn2nc(C)c(NC(=O)COC(=O)Cn3c(C)cc4ccccc43)c2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 5/20 0.66
PRSS1 P07477 1/20 0.66
PRSS2 P07478 1/20 0.66
PRSS3 P35030 1/20 0.66
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.51
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 3/20 0.45
ATM Q13315 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL20037022 0.82 KLK6 (0.77) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037270 0.79 KLK6 (1.00) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037102 0.79 NPC1 (0.59) NPC1PKMKMT2AALDH1A1MEN1
SCHEMBL20037005 0.78 KLK6 (0.89) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037221 0.77 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037137 0.77 KLK6 (0.86) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037078 0.77 KLK6 (0.77) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037009 0.75 KLK6 (0.73) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037280 0.75 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3KMT2A
SCHEMBL20037080 0.75 KLK6 (0.82) KLK6PRSS1PRSS2PRSS3KMT2A

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