SCHEMBL5168253

SCHEMBL5168253

CC(=O)N(c1c(-c2ccc(OC(=O)O)o2)nc2cc(C)cc(C)n12)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5165780 0.87 PKM (0.38) RAB9ANPC1PKMLMNAKDM4E
SCHEMBL5168250 0.86 RAB9A (0.37) RAB9ANPC1PKMLMNAKDM4E
SCHEMBL6752184 0.83 RAB9A (0.34) RAB9ANPC1PKMLMNAKMT2A
SCHEMBL5166990 0.82 RAB9A (0.35) RAB9ANPC1PKMLMNAKDM4E
SCHEMBL5168319 0.82 MAPT (0.40) RAB9ANPC1PKMLMNAKDM4E
SCHEMBL5168296 0.79 PKM (0.45) PKMLMNAKDM4EMAPT
SCHEMBL5165682 0.77 CREBBP (0.35) KMT2A
SCHEMBL5168103 0.77 LMNA (0.42) RAB9ANPC1PKMLMNAKDM4E
SCHEMBL5168739 0.75 ALDH1A1 (0.43) RAB9ANPC1PKMLMNAKDM4E
SCHEMBL5165659 0.75 PABPC1 (0.41) RAB9ANPC1PKMLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed