SCHEMBL20180177

SCHEMBL20180177

N=Nc1ccccc1Nc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
RAPGEF4 Q8WZA2 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.40
EPAS1 Q99814 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDO2 P48775 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TGM2 P21980 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
GAK O14976 1/20 0.38
ABCB1 P08183 2/20 0.38
FBP1 P09467 1/20 0.38
ABCC1 P33527 1/20 0.38
P2RY4 P51582 1/20 0.37

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
SCHEMBL14137199 0.82 EGFR (0.57) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL14339391 0.78 EGFR (0.54) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL16020286 0.77 EGFR (0.53) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL20609306 0.74 RAPGEF4 (0.59) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL18440260 0.74 EGFR (0.50) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL1519246 0.74 MAPT (0.62) EGFRRAPGEF4MEN1KMT2AKDM4E
SCHEMBL20180549 0.73 EGFR (0.47) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL29961149 0.73 RAPGEF4 (0.61) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL29961547 0.73 RAPGEF4 (0.61) EGFRRAPGEF4ABCG2EPAS1MEN1
SCHEMBL1687027 0.73 RAPGEF4 (0.61) EGFRRAPGEF4ABCG2EPAS1MEN1

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