SCHEMBL20180154

SCHEMBL20180154

CC1(C)OB(c2cccc(-c3ccc4ccc(Nc5ccccc5)c(C=N)c4c3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.41
LPL P06858 5/20 0.41
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
CYP3A4 P08684 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CDC25B P30305 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.31
USP2 O75604 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL20180182 0.85 EGFR (0.40) LIPGLPLEGFRCYP3A4TSHR
SCHEMBL20180231 0.84 LIPG (0.45) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180328 0.82 EGFR (0.30) EGFR
SCHEMBL20180146 0.79 ABCG2 (0.38) EGFRKDRCYP3A4TSHRHSD17B10
SCHEMBL20180311 0.79 LIPG (0.47) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180251 0.77 LIPG (0.42) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180228 0.77 LIPG (0.38) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180170 0.75 LIPG (0.36) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20615350 0.74 LIPG (0.44) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180148 0.74 LIPG (0.38) LIPGLPLEGFRPDGFRBKDR

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