SCHEMBL8946646

SCHEMBL8946646

N=C=O.N=C=O.N=C=O.N=C=O.c1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
S100A4 P26447 3/20 0.50
MAPK1 P28482 3/20 0.50
POLB P06746 3/20 0.50
RECQL P46063 3/20 0.50
MAOA P21397 2/20 0.50
APAF1 O14727 2/20 0.50
TDP2 O95551 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
BCHE P06276 2/20 0.50
PTPRC P08575 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
TERT O14746 1/20 0.50
NPC1 O15118 1/20 0.50
PLIN1 O60240 1/20 0.50

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
SCHEMBL30664840 1.00 MEN1 (0.50) MEN1KMT2AS100A4MAPK1POLB
SCHEMBL1158510 1.00 MEN1 (0.50) MEN1KMT2AS100A4MAPK1POLB
Methane SCHEMBL8638123 0.97 MEN1 (0.47) MEN1KMT2AS100A4MAPK1POLB
SCHEMBL30356281 0.86 PTGS2 (0.45) MEN1KMT2AS100A4MAPK1POLB
Anthraquinone SCHEMBL9650846 0.84 CDC25B (0.71) MEN1KMT2AS100A4MAPK1POLB
SCHEMBL10343329 0.80 PTPRC (0.52) MEN1KMT2AMAPK1POLBLMNA
SCHEMBL3906602 0.80 ALDH1A1 (0.50) MEN1KMT2AMAPK1MAOAKDM4E
SCHEMBL160151 0.80 TSHR (0.45) MEN1KMT2AMAPK1MAOAAPAF1
SCHEMBL23071449 0.79 CDC25B (0.33) MEN1KMT2AMAOAIDO1CDC25B
Triphenylene SCHEMBL9251630 0.79 HPRT1 (0.40) MEN1KMT2AMAPK1MAOAKDM4E

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
US-5565508-A USEFUL AS BINDERS IN ELECTRODEPOSITION COATING BATHS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed