SCHEMBL12801532

SCHEMBL12801532

COc1ccc(N)cc1OCCCN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.48
EHMT1 Q9H9B1 4/20 0.48
QPCT Q16769 3/20 0.47
AXL P30530 1/20 0.46
EGFR P00533 4/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SRC P12931 1/20 0.43
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43

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
SCHEMBL29875845 0.95 KDM4E (0.49) EHMT2EHMT1QPCTAXLEGFR
SCHEMBL17372611 0.88 EHMT2 (0.60) EHMT2EHMT1
SCHEMBL30764769 0.86 EHMT2 (0.50) EHMT2EHMT1AXLHRH3
SCHEMBL5103081 0.86 EHMT2 (0.50) EHMT2EHMT1AXLHRH3
SCHEMBL12521972 0.85 EHMT2 (0.49) EHMT2EHMT1AXL
SCHEMBL12448367 0.84 AXL (0.61) AXLEGFRHRH3SRC
SCHEMBL1930155 0.82 EHMT2 (0.60) EHMT2EHMT1
SCHEMBL12522390 0.82 SPIN1 (0.48) EHMT2EHMT1AXLHRH3
SCHEMBL3435110 0.82 KDM4E (0.54) HRH3
SCHEMBL4261231 0.81 EHMT2 (0.59) EHMT2EHMT1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed