SCHEMBL5539258

SCHEMBL5539258

CCOC(=O)ON1CCC(NC(=O)c2noc3c2CN(S(=O)(=O)c2ccc(F)cc2)CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2586740 0.90 MAPT (0.53) KMT2AMEN1L3MBTL1TSHRMAPT
SCHEMBL2585658 0.75 CCR2 (0.46) POLB
SCHEMBL4261182 0.74 MEN1 (0.47) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL2585254 0.73 POLB (0.44) KMT2ATSHRPOLBGAASMN1; SMN2
SCHEMBL2584691 0.72 ALDH1A1 (0.50) KMT2AMEN1GAASMN1; SMN2RAB9A
SCHEMBL2585643 0.71 MEN1 (0.43) KMT2AMEN1L3MBTL1TSHRGAA
SCHEMBL2586359 0.70 POLB (0.41) KMT2AMEN1MAPTPOLBGAA
SCHEMBL2576007 0.70 ALDH1A1 (0.59) KMT2AMEN1L3MBTL1TSHRMAPT
SCHEMBL2588885 0.69 PKM (0.55) TSHRMAPTPOLBGAASMN1; SMN2
SCHEMBL4268544 0.68 CD4 (0.45) KMT2APOLBGAAALDH1A1PKM

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-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 claimed
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 claimed
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 claimed
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