SCHEMBL2222204

SCHEMBL2222204

Oc1c(Cl)cc(Cl)cc1C=NCCN=Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
ERN1 O75460 1/20 0.55
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
ALDH1A1 P00352 7/20 0.54
MAPT P10636 7/20 0.54
KDM4E B2RXH2 6/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9113097 0.84 CA12 (0.49) CA12CA1CA2CA9ERN1
SCHEMBL9113110 0.84 CA12 (0.49) CA12CA1CA2CA9ERN1
SCHEMBL11297883 0.83 CA12 (0.48) CA12CA1CA2CA9ERN1
SCHEMBL11297884 0.83 CA12 (0.48) CA12CA1CA2CA9ERN1
SCHEMBL6450098 0.80 ERN1 (0.59) CA12CA1CA2CA9ERN1
SCHEMBL6450101 0.80 ERN1 (0.59) CA12CA1CA2CA9ERN1
SCHEMBL2697239 0.78 ERN1 (0.57) CA12CA1CA2CA9ERN1
SCHEMBL4262963 0.77 CA12 (0.46) CA12CA1CA2CA9ERN1
SCHEMBL4262967 0.77 CA12 (0.46) CA12CA1CA2CA9ERN1
SCHEMBL18651813 0.76 CA12 (0.48) CA12CA1CA2CA9ERN1

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
US-20130030144-A1 STAR POLYMERS HAVING CONTROLLED TACTICITY AND METHODS OF MAKING SAME SHAVER MICHAEL P (CA) 2013-01-31 US disclosed
WO-2011082479-A1 STAR POLYMERS HAVING CONTROLLED TACTICITY AND METHODS OF MAKING SAME UNIVERSITY OF PRINCE EDWARD ISLAND (CA) 2011-07-14 WO disclosed