SCHEMBL18935404

SCHEMBL18935404

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.49
CYP11B1 P15538 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 2/20 0.39
DHODH Q02127 2/20 0.38
ADORA2A P29274 1/20 0.38
NUDT1 P36639 1/20 0.38
WHR1 P49842 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
AKT1 P31749 1/20 0.36
CSNK2A2 P19784 1/20 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
SCHEMBL18935399 0.90 MEN1 (0.58) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL18935409 0.90 MEN1 (0.58) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL18934773 0.90 CYP11B1 (0.47) MEN1KMT2AATMCYP11B1DHODH
SCHEMBL18935408 0.89 MEN1 (0.51) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL23065684 0.89 CYP11B1 (0.50) MEN1KMT2AATMCYP11B1L3MBTL1
SCHEMBL18935400 0.88 MEN1 (0.48) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL18935413 0.88 MEN1 (0.43) MEN1KMT2AATMCYP11B1GAA
SCHEMBL17598597 0.88 MEN1 (0.50) MEN1KMT2AATMCYP11B1L3MBTL1
SCHEMBL17598674 0.88 MEN1 (0.50) MEN1KMT2AATMCYP11B1L3MBTL1
SCHEMBL18935407 0.88 MEN1 (0.55) MEN1KMT2AATML3MBTL1KDM4E

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-2017095100-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2017-06-08 WO disclosed