SCHEMBL20180229

SCHEMBL20180229

N=Cc1cc(-c2cccc(Br)c2)ccc1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALK Q9UM73 2/20 0.37
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
ABCC1 P33527 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA1 P14867 1/20 0.36
EGFR P00533 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL20180309 0.93 ABCG2 (0.41) MEN1KMT2ALMNAHPGDALOX12
SCHEMBL20180167 0.88 NPC1 (0.38) MEN1KMT2AALDH1A1ALKGABRG2
SCHEMBL19624969 0.85 ALK (0.45) MEN1KMT2ALMNAHPGDALOX12
SCHEMBL20180161 0.81 PTGS1 (0.43) MEN1KMT2AALKEGFRNPC1
SCHEMBL20180146 0.80 ABCG2 (0.38) MEN1KMT2ALMNAHPGDALOX12
SCHEMBL22927246 0.79 BRAF (0.50) MEN1KMT2AABCG2TP53SMN1; SMN2
SCHEMBL20180142 0.78 ALK (0.39) MEN1KMT2ALMNAALDH1A1ALK
SCHEMBL20180549 0.77 EGFR (0.47) MEN1KMT2ALMNAHPGDALOX12
SCHEMBL2454066 0.77 MEN1 (0.44) MEN1KMT2ALMNAHPGDALOX12
SCHEMBL20180231 0.76 LIPG (0.45) ALKEGFR

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