SCHEMBL5168437

SCHEMBL5168437

Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccc(OC(=O)O)o3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GFER P55789 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CREBBP Q92793 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BACE1 P56817 1/20 0.38
BRD4 O60885 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5168427 0.86 GAA (0.45) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5166950 0.82 GAA (0.45) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5167585 0.81 GAA (0.47) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5168364 0.79 NPC1 (0.36) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5168212 0.78 ALOX5 (0.57) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5164851 0.77 GAA (0.44) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5168291 0.77 GAA (0.43) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5169118 0.77 GAA (0.46) GAAMAPTTP53SMN1; SMN2THRB
SCHEMBL5167066 0.76 GAA (0.55) GAAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL5168435 0.76 TRPA1 (0.48) GAAMAPTTP53SMN1; SMN2THRB

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