SCHEMBL20037205

SCHEMBL20037205

CC(=O)OCC(=O)Nc1c(C)nn(-c2ccc(C#N)cc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 4/20 0.55
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
SLC34A1 Q06495 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL20037138 0.87 LMNA (0.68) KLK6LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL20037206 0.84 ALDH1A1 (0.57) KLK6LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL20037047 0.84 KLK6 (0.74) KLK6LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL20037169 0.82 KLK6 (0.81) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037114 0.82 KLK6 (0.55) KLK6LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL20037080 0.79 KLK6 (0.82) KLK6LMNARAB9AKDM4EMEN1
SCHEMBL20037154 0.78 KLK6 (0.59) KLK6LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL20037230 0.76 KLK6 (0.76) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20075148 0.75 SLC34A1 (0.53) LMNAALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL324309 0.75 ALDH1A1 (0.65) LMNAALDH1A1HTTSMN1; SMN2RAB9A

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