SCHEMBL526111

SCHEMBL526111

CCOC(=O)c1noc2c1CC(C)(C)/C(=C/N(C)C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
TSHR P16473 1/20 0.37
NR4A1 P22736 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 3/20 0.32
LMNA P02545 2/20 0.32
HTR2C P28335 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
USP2 O75604 1/20 0.30
IDE P14735 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30

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
SCHEMBL526112 1.00 TDP2 (0.38) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL525742 0.83 MAPT (0.41) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL525741 0.83 MAPT (0.41) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL14990271 0.78 TDP2 (0.40) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL10092913 0.78 TDP2 (0.40) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL14990354 0.78 TDP2 (0.40) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL525989 0.74 TDP2 (0.42) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL526364 0.71 ALDH1A1 (0.37) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL31649716 0.67 GABRG2 (0.40) TDP2ALDH1A1POLBKDM4EHSP90AA1
SCHEMBL31649857 0.67 NPC1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed