SCHEMBL4970732

SCHEMBL4970732

COc1ccc(C(C=O)c2cc(Br)ccc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 7/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 3/20 0.34
TCF4 P15884 1/20 0.34
CTNNB1 P35222 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 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
SCHEMBL8057378 0.80 MAPT (0.50) MAPTMAPK1MEN1KMT2ANPSR1
SCHEMBL5188701 0.77 MAPT (0.44) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL1010013 0.75 HSP90AA1 (0.41) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL4775938 0.75 ALDH1A1 (0.52) MAPTMAPK1MEN1KMT2ANPSR1
SCHEMBL4748432 0.74 CYP1A2 (0.40) MAPK1KMT2ALMNAALDH1A1TDP1
SCHEMBL7456881 0.74 HPGD (0.50) MAPTMAPK1MEN1KMT2ANPSR1
SCHEMBL6110366 0.73 GAA (0.39) ALDH1A1CYP3A4
SCHEMBL3378693 0.72 SLC6A4 (0.44)
SCHEMBL3630701 0.72 FLT1 (0.35) MAPK1KMT2ANPSR1LMNATDP1
SCHEMBL4450552 0.72 ALDH1A1 (0.39) MAPTMAPK1LMNAALDH1A1TDP1

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
EP-1881990-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN Boehringer Ingelheim International GmbH (DE) 2008-01-30 EP disclosed
WO-2006120208-A1 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES AND INTERMEDIATES THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 WO disclosed