SCHEMBL3476289

SCHEMBL3476289

COCc1ccc(Br)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.51
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4C Q9H3R0 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL6557118 0.84 KDM4E (0.55) POLBKDM4ETDP1GAAMAPT
SCHEMBL30423333 0.82 PYCR1 (0.53) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL1125103 0.82 PYCR1 (0.53) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL3484403 0.82 PYCR1 (0.53) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL30517254 0.81 POLB (0.41) PYCR1POLBKDM4ETDP1GAA
SCHEMBL4588928 0.81 POLB (0.41) PYCR1POLBKDM4ETDP1GAA
SCHEMBL46431 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL1427602 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL8635762 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL6292921 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed