SCHEMBL4661230

SCHEMBL4661230

OCCc1ccccc1NCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
AGER Q15109 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
SCD O00767 3/20 0.42
ABCB1 P08183 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CDK2 P24941 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL3159306 0.86 HSD17B10 (0.52) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL4661438 0.78 HTR6 (0.45) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL8503692 0.77 HSD17B10 (0.49) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5786086 0.77 PTGS2 (0.41) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL13908182 0.76 MAPT (0.44) MEN1MAPTKMT2AALDH1A1AGER
SCHEMBL22796037 0.76 MAPT (0.73) MEN1MAPTKMT2AALDH1A1AGER
SCHEMBL11307060 0.74 HSD17B10 (0.46) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5838617 0.74 ADRA2C (0.55) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL3492989 0.73 KDM4E (0.47) MAPTALDH1A1KDM4EL3MBTL1CA12
SCHEMBL5544675 0.73 MAPT (0.44) MEN1MAPTKMT2AALDH1A1AGER

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-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed