SCHEMBL13165643

SCHEMBL13165643

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CN(C)C)CCOC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN7 P35236 2/20 0.35
DUSP3 P51452 2/20 0.35
EPHX2 P34913 3/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL13166046 0.95 MAPT (0.40) L3MBTL1ALDH1A1KMT2AGAAMEN1
SCHEMBL13165631 0.92 L3MBTL1 (0.37) L3MBTL1ALDH1A1KMT2AGAAMEN1
SCHEMBL13165638 0.91 EPHX2 (0.40) L3MBTL1ALDH1A1KMT2AGAAMAPT
SCHEMBL12238927 0.91 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2AGAAMEN1
SCHEMBL13165630 0.91 POLB (0.39) L3MBTL1ALDH1A1KMT2AGAAMEN1
SCHEMBL13166048 0.90 L3MBTL1 (0.39) L3MBTL1ALDH1A1KMT2AGAAMAPT
SCHEMBL13165629 0.90 L3MBTL1 (0.39) L3MBTL1ALDH1A1KMT2AGAAMAPT
SCHEMBL13166426 0.90 POLB (0.39) L3MBTL1ALDH1A1KMT2AGAAMEN1
SCHEMBL13165640 0.89 L3MBTL1 (0.41) L3MBTL1ALDH1A1KMT2AMAPTPOLB
SCHEMBL13166164 0.89 DDR2 (0.32) L3MBTL1ALDH1A1KMT2AGAAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed