SCHEMBL6655299

SCHEMBL6655299

O=C1C2=C(C=c3cc4c(cc31)=Cc1ccccc1C4=O)CC=CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.34
CDC25A P30304 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
PTPRC P08575 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL3444764 0.80 MEN1 (0.48) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL5207877 0.72 CDC25B (0.36) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL787044 0.67 CDC25B (0.55) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL2452850 0.67 IDO1 (0.41) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL6887228 0.65 CDC25B (0.37) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL4818463 0.65 CDC25B (0.34) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL11882418 0.62 MEN1 (0.55) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL9544599 0.62 MEN1 (0.42) CDC25BMEN1KMT2AKDM4EALDH1A1
SCHEMBL5802523 0.59 MEN1 (0.44) CDC25BCDC25AMEN1KMT2AKDM4E
SCHEMBL3444897 0.59 CDC25B (0.57) CDC25BCDC25AMEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed