SCHEMBL6517243

SCHEMBL6517243

CC(C)C[C@H](Nc1nc(Cl)cc(Nc2cccc(F)c2)n1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX5 P09917 3/20 0.42
PTGES O14684 2/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
PPARD Q03181 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 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
SCHEMBL6510872 0.90 NPR3 (0.44) MAPTLMNAPOLBSLC2A1SMN1; SMN2
SCHEMBL6510875 0.90 NPR3 (0.44) MAPTLMNAPOLBSLC2A1SMN1; SMN2
SCHEMBL6510400 0.80 HPGD (0.44) LMNAPOLB
SCHEMBL6512174 0.79 CTSK (0.40) MAPTLMNAPOLBSLC2A1SMN1; SMN2
SCHEMBL6512168 0.79 CTSK (0.40) MAPTLMNAPOLBSLC2A1SMN1; SMN2
SCHEMBL6513858 0.76 SLC2A1 (0.42) MAPTSLC2A1SMN1; SMN2ALOX5PTGES
SCHEMBL6513867 0.76 SLC2A1 (0.42) MAPTSLC2A1SMN1; SMN2ALOX5PTGES
SCHEMBL6530463 0.76 NPR3 (0.55) POLBCNR2
SCHEMBL6530469 0.76 NPR3 (0.55) POLBCNR2
SCHEMBL6507727 0.75 CYP2C9 (0.43) MAPTLMNAPOLBSLC2A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed