SCHEMBL20180309

SCHEMBL20180309

N=Cc1cc(-c2ccccc2)ccc1Nc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.41
ABCB1 P08183 3/20 0.41
ABCC1 P33527 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EGFR P00533 4/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HTT P42858 1/20 0.37
KDR P35968 3/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
ALK Q9UM73 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL20180229 0.93 MEN1 (0.40) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL20180161 0.88 PTGS1 (0.43) MEN1KMT2AEGFRKDRRAPGEF4
SCHEMBL22927246 0.83 BRAF (0.50) ABCG2MEN1KMT2ASIRT2SIRT1
SCHEMBL20180549 0.82 EGFR (0.47) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL20180167 0.81 NPC1 (0.38) MEN1KMT2AALDH1A1EGFRKDR
SCHEMBL19624969 0.81 ALK (0.45) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL30675132 0.80 ALDH1A1 (0.47) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL26858235 0.80 ALDH1A1 (0.47) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL20180257 0.78 FBP1 (0.44) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL20180311 0.77 LIPG (0.47) EGFRSIRT2SIRT1KDRALK

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