SCHEMBL20037082

SCHEMBL20037082

CC(=N)/C(NC(=O)COC(=O)Cc1ccc(N)cc1)=C(/C)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.53
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL20037101 0.92 KLK7 (0.55) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037029 0.89 ALDH1A1 (0.49) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037113 0.88 KLK7 (0.70) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037171 0.87 KLK7 (0.50) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20048287 0.86 KLK7 (0.49) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037176 0.85 KLK7 (0.42) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037030 0.83 ALDH1A1 (0.50) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037253 0.83 L3MBTL1 (0.69) KLK7ALDH1A1L3MBTL1SMN1; SMN2THRB
SCHEMBL20037237 0.83 ALDH1A1 (0.50) KLK7ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20037302 0.82 KLK7 (0.45) KLK7ALDH1A1MEN1KMT2AL3MBTL1

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