SCHEMBL1430283

SCHEMBL1430283

CCOC(=O)/C(=C/N(C)C)C(=O)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
DHODH Q02127 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GAA P10253 3/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLIN1 O60240 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1430284 1.00 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL2998435 1.00 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5478412 0.86 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5478416 0.86 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11365920 0.85 MAPT (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11365918 0.85 MAPT (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3822858 0.85 CES2 (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3822857 0.85 CES2 (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1012186 0.84 MAPT (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1965188 0.84 MAPT (0.56) MEN1KMT2AMAPTALDH1A1POLB

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-2300463-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed