SCHEMBL2009161

SCHEMBL2009161

BrCc1ccc2cccnc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE10A Q9Y233 2/20 0.43
SUCNR1 Q9BXA5 9/20 0.42
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 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
SCHEMBL27705784 0.85 PDE10A (0.48) CCR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL4823229 0.82 ALDH1A1 (0.48) CCR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL3275331 0.80 KDM4E (0.50) CCR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL19952703 0.80 ALDH1A1 (0.47) CCR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL7514147 0.80 ALDH1A1 (0.47) CCR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL12895009 0.78 PDE10A (0.49) CCR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL6129289 0.78 KCNH2 (0.55) ALDH1A1PDE10ASUCNR1TDP1OXGR1
SCHEMBL276117 0.78 SUCNR1 (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL6899530 0.78 SUCNR1 (0.47) ALDH1A1PDE10ASUCNR1OXGR1
SCHEMBL23083184 0.77 PDE10A (0.49) CCR1ALDH1A1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed