SCHEMBL21709047

SCHEMBL21709047

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46
CCR1 P32246 1/20 0.46

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
SCHEMBL25850574 0.97 TOP1 (0.50) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL19762994 0.93 TOP1 (0.47) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL19762981 0.93 CYP1A1 (0.50) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL16026713 0.93 MAPT (0.47) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL20732476 0.93 MAPT (0.47) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL19762933 0.91 TOP1 (0.53) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL19762963 0.91 TOP1 (0.53) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL20732549 0.91 CCR1 (0.52) TOP1MAPTKDM4ELMNAGMNN
SCHEMBL29314772 0.91 CYP1A1 (0.46) TOP1MAPTMEN1KMT2AKDM4E
SCHEMBL20726691 0.90 MAPT (0.44) TOP1MAPTMEN1KMT2AKDM4E

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-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed