SCHEMBL6204581

SCHEMBL6204581

COC(=O)c1ccc(CCN(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL590012 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL4627799 0.85 CYP4A11 (0.49) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL14428114 0.84 PDGFRB (0.44) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL27696794 0.84 PDGFRB (0.44) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL4627839 0.84 PDGFRB (0.44) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL13634220 0.83 ALDH1A1 (0.48) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL23507219 0.83 PPARA (0.45) MAPTPDGFRBFGFR1PDGFRAFLT1
SCHEMBL590781 0.82 TTR (0.47) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL2770959 0.81 HPGD (0.46) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL2277745 0.81 PDGFRB (0.46) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA

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-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed