SCHEMBL20180141

SCHEMBL20180141

CC1(C)OB(c2cccc(Nc3ccc4ccccc4c3C(=N)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.37
LIPG Q9Y5X9 3/20 0.37
EGFR P00533 1/20 0.36
CDC25B P30305 8/20 0.36
AKR1C4 P17516 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.33
P4HB P07237 1/20 0.33
FADS1 O60427 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL20615284 0.86 ADRA2A (0.36) LPLLIPGEGFRCDC25BTP53
SCHEMBL20180148 0.86 LIPG (0.38) LPLLIPGEGFRALDH1A1HPGD
SCHEMBL20180182 0.82 EGFR (0.40) LPLLIPGEGFRCDC25BALDH1A1
SCHEMBL20180263 0.81 EGFR (0.39) LPLLIPGEGFRAKR1C4AKR1C3
SCHEMBL20180255 0.79 LIPG (0.44) LPLLIPGEGFRCDC25BAKR1C4
SCHEMBL20180251 0.76 LIPG (0.42) LPLLIPGEGFRCDC25BAKR1C4
SCHEMBL20615345 0.75 LPL (0.33) LPLLIPG
SCHEMBL20615277 0.75 MAPT (0.37) LPLLIPGEGFRAKR1C3AKR1C2
SCHEMBL20615582 0.75 LPL (0.34) LPLLIPG
SCHEMBL20615581 0.74 CDC25B (0.45) EGFRCDC25BALDH1A1TP53CYP3A4

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