SCHEMBL17033869

SCHEMBL17033869

c1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6ccc7c(cc8c9ccccc9c9ccccc9n87)c65)c4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
PTK2B Q14289 1/20 0.40
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPP1CA P62136 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL17033878 0.98 KMT2A (0.39) KMT2AMAPTNPSR1PTK2BPOLB
SCHEMBL17033435 0.87 KMT2A (0.37) KMT2AMAPTNPSR1POLBKDM4E
SCHEMBL17033725 0.87 MEN1 (0.34) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL17033909 0.85 L3MBTL1 (0.33) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL17033448 0.85 KDM4E (0.35) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL17033454 0.85 KDM4E (0.36) KMT2AMAPTPOLBKDM4EMEN1
SCHEMBL17033910 0.85 MAPT (0.31) KMT2AMAPTNPSR1PTK2B
SCHEMBL17033743 0.85 PTGER4 (0.33) KMT2AKDM4EMEN1L3MBTL1ATM
SCHEMBL17033385 0.84 KDM4E (0.34) KMT2AKDM4EMEN1L3MBTL1GABRG2
SCHEMBL17033749 0.84 KDM4E (0.36) KMT2AMAPTKDM4EMEN1L3MBTL1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed