SCHEMBL4066802

SCHEMBL4066802

O=C(OC(=O)c1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MGLL Q99685 1/20 0.46
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
PARL Q9H300 2/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX12 P18054 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL133554 0.86 KMT2A (0.53) KMT2AMGLLF2LMNAMAPK1
SCHEMBL19309377 0.86 KMT2A (0.53) KMT2AMGLLF2LMNAMAPK1
SCHEMBL915835 0.81 TDP1 (0.44) KMT2AMGLLF2LMNAMAPK1
SCHEMBL3106205 0.81 TDP1 (0.51) KMT2AMGLLLMNAMAPK1MAPT
SCHEMBL76714 0.80 KMT2A (0.48) KMT2AMGLLF2LMNAMAPK1
SCHEMBL15169077 0.80 KMT2A (0.48) KMT2AMGLLF2LMNAMAPK1
SCHEMBL15169078 0.80 KMT2A (0.48) KMT2AMGLLF2LMNAMAPK1
Hydrogen Peroxide SCHEMBL28931710 0.80 LMNA (0.64) KMT2AF2LMNAMAPK1TSHR
SCHEMBL7589769 0.80 LMNA (0.64) KMT2AF2LMNAMAPK1TSHR
SCHEMBL4702445 0.79 TDP1 (0.57) KMT2AMGLLLMNAMAPK1SMN1; SMN2

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-1981903-B1 ASPARAGINE-10-SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1981903-A1 ASPARAGINE-10-SUBSTITUTED NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2008-10-22 EP disclosed
WO-2007085456-A1 ASPARAGINE-10-SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2007-08-02 WO disclosed
WO-2003062232-A1 DERIVATIVES OF THIAZOLES USED FOR THE TREATMENT OF NEUROLOGICAL DISEASES SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-31 WO disclosed