SCHEMBL4605003

SCHEMBL4605003

O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 1.00
ITGB7 P26010 2/20 1.00
MEN1 O00255 16/20 0.79
KMT2A Q03164 16/20 0.79
POLB P06746 12/20 0.79
BLM P54132 7/20 0.79
USP2 O75604 3/20 0.79
GAA P10253 3/20 0.79
DNMT1 P26358 1/20 0.79
RECQL P46063 8/20 0.73
NPSR1 Q6W5P4 7/20 0.73
MITF O75030 5/20 0.73
PKM P14618 4/20 0.73
MAPK1 P28482 4/20 0.73
GFER P55789 2/20 0.73
MAPT P10636 10/20 0.63
L3MBTL1 Q9Y468 7/20 0.63
ALDH1A1 P00352 4/20 0.63
LMNA P02545 3/20 0.63
CACNA1B Q00975 2/20 0.62

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
SCHEMBL4605007 1.00 ITGA4 (1.00) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL14444644 0.88 MEN1 (1.00) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL30457527 0.88 MEN1 (1.00) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL25633642 0.85 ITGA4 (0.73) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL30457669 0.85 ITGA4 (0.73) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL1061856 0.84 KMT2A (0.75) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL1061858 0.84 KMT2A (0.75) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL2981309 0.83 ITGA4 (0.71) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL22095990 0.82 ITGA4 (0.70) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL3610125 0.82 ITGA4 (0.69) ITGA4ITGB7MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845781-B1 USE OF COMPOUNDS DERIVED FROM PYRIMIDINETRIONE AS ACETYL CHOLINESTERASE INHIBITORS, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND THE USES THEREOF CENTRE NAT RECH SCIENT (FR) 2008-07-09 EP claimed
EP-1845781-B1 USE OF COMPOUNDS DERIVED FROM PYRIMIDINETRIONE AS ACETYL CHOLINESTERASE INHIBITORS, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND THE USES THEREOF CENTRE NAT RECH SCIENT (FR) 2008-07-09 EP disclosed