SCHEMBL18427352

SCHEMBL18427352

COc1c(O)nc(-c2cccc(F)c2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
DHPS P49366 8/20 0.43
TRPM8 Q7Z2W7 3/20 0.39
FYN P06241 1/20 0.39
RELA Q04206 1/20 0.39
ESR2 Q92731 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 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
SCHEMBL1809226 0.90 PDGFRB (0.48) PDGFRBPDGFRADHPSFYNRELA
SCHEMBL1812558 0.90 PDGFRB (0.48) PDGFRBPDGFRADHPSTRPM8FYN
SCHEMBL1817177 0.83 DHPS (0.57) PDGFRBPDGFRADHPSFYN
SCHEMBL12958859 0.81 TRPM8 (0.42) TRPM8ESR2ABCG2
SCHEMBL28584109 0.78 DHPS (0.65) PDGFRBPDGFRADHPSABCG2
SCHEMBL12958862 0.76 LMNA (0.43) PDGFRBPDGFRAABCG2
SCHEMBL12958858 0.76 ESR2 (0.47) TRPM8ESR2ABCG2
SCHEMBL375243 0.75 LMNA (0.46) PDGFRBPDGFRAESR2
SCHEMBL30410753 0.74 DHPS (0.79) DHPS
SCHEMBL28568909 0.74 DHPS (0.79) DHPS

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
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed