SCHEMBL5533558

SCHEMBL5533558

CC(=O)c1ccc(N2CCN(C(=O)c3noc4c3CN(OC(=O)OC(C)(C)C)CC4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 11/20 0.50
TP53 P04637 3/20 0.50
KMT2A Q03164 2/20 0.47
THRB P10828 2/20 0.46
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2582352 0.86 LMNA (0.53) LMNAMAPTTP53KMT2ATHRB
SCHEMBL2588877 0.75 KMT2A (0.54) LMNAMAPTTP53KMT2ATHRB
Hydrochloric Acid SCHEMBL2585132 0.74 KMT2A (0.53) LMNAMAPTTP53KMT2ATHRB
SCHEMBL2585782 0.74 MAPT (0.48) LMNAMAPTTP53KMT2AALDH1A1
SCHEMBL5527557 0.71 MAPT (0.46) LMNAMAPTTP53KMT2ATHRB
SCHEMBL5531337 0.70 USP2 (0.38) LMNAMAPTTP53KMT2ATHRB
SCHEMBL1481563 0.68 GPR119 (0.78) LMNAMAPTKMT2AALDH1A1GPR119
SCHEMBL3441391 0.67 KMT2A (0.57) LMNAMAPTTP53KMT2AALDH1A1
SCHEMBL22481977 0.66 USP2 (0.42) MAPTKMT2AALDH1A1USP2POLB
SCHEMBL4716468 0.66 GPR119 (0.42) LMNAMAPTTP53KMT2AALDH1A1

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-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO disclosed