SCHEMBL20037101

SCHEMBL20037101

CC(=N)/C(NC(=O)COC(=O)Cc1ccccc1)=C(/C)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PAM P19021 1/20 0.47
EPHX2 P34913 1/20 0.44
KLK6 Q92876 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 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
SCHEMBL20037082 0.92 KLK7 (0.53) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037113 0.91 KLK7 (0.70) KLK7L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL20037030 0.90 ALDH1A1 (0.50) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037237 0.90 ALDH1A1 (0.50) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037302 0.90 KLK7 (0.45) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037171 0.90 KLK7 (0.50) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037121 0.90 ALDH1A1 (0.52) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037029 0.90 ALDH1A1 (0.49) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20048287 0.89 KLK7 (0.49) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL20037202 0.89 KLK7 (0.54) KLK7L3MBTL1ALDH1A1HTTNPC1

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