SCHEMBL14775699

SCHEMBL14775699

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1C(C)OC(=O)NC1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PARP1 P09874 3/20 0.36
NAMPT P43490 2/20 0.36
KCNA3 P22001 1/20 0.36
TSHR P16473 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
MAPT P10636 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL474154 0.81 ALDH1A1 (0.40) ALDH1A1LMNANAMPTMAPTL3MBTL1
SCHEMBL9930974 0.74 PTGES (0.43) ALDH1A1LMNANAMPTTSHRMAPT
SCHEMBL474143 0.72 MEN1 (0.38) ALDH1A1LMNANAMPTTSHRPOLB
SCHEMBL135627 0.71 HTT (0.47) LMNAKMT2AMEN1L3MBTL1
SCHEMBL1205921 0.70 TSHR (0.47) ALDH1A1LMNANAMPTTSHRMAPT
SCHEMBL30965061 0.69 TSHR (0.46) ALDH1A1LMNANAMPTTSHRMAPT
SCHEMBL7930745 0.69 TSHR (0.46) ALDH1A1LMNANAMPTTSHRMAPT
SCHEMBL6187601 0.69 CTSK (0.56) PARP1NAMPTKCNA3CKS1BSKP1
SCHEMBL6629351 0.68 ROCK2 (0.46) NAMPTTSHRL3MBTL1
SCHEMBL14969490 0.68 TSHR (0.57) ALDH1A1LMNANAMPTTSHRL3MBTL1

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-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed