SCHEMBL20180132

SCHEMBL20180132

CC1(C)OB(c2cccc(Nc3ccccc3C=N)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.42
LPL P06858 7/20 0.39
LIPG Q9Y5X9 7/20 0.39
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
P4HB P07237 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
HPGD P15428 1/20 0.30
HDAC3 O15379 1/20 0.30

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
SCHEMBL20180164 0.86 LPL (0.41) EGFRLPLLIPGCA1CA2
SCHEMBL20180311 0.86 LIPG (0.47) EGFRLPLLIPGCA1CA2
SCHEMBL20180231 0.82 LIPG (0.45) EGFRLPLLIPGCA1CA2
SCHEMBL25491284 0.81 EGFR (0.42) EGFRLPLLIPGCA1CA2
SCHEMBL20180158 0.81 EGFR (0.38) EGFRLPLLIPGCA1CA2
SCHEMBL20180180 0.80 EGFR (0.41) EGFRLPLLIPGCA1CA2
SCHEMBL20180179 0.80 MAPT (0.47) EGFRLPLLIPGCA1CA2
SCHEMBL20180556 0.80 EGFR (0.39) EGFRLPLLIPGCA1CA2
SCHEMBL3758531 0.79 LIPG (0.50) EGFRLPLLIPGCA1CA2
SCHEMBL20180182 0.79 EGFR (0.40) EGFRLPLLIPGCA1CA2

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed