SCHEMBL9822676

SCHEMBL9822676

CCCCc1cccc(-c2nc(C(C)C)n(C)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
TGFBR1 P36897 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NOS2 P35228 1/20 0.31
PDE10A Q9Y233 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
NPY2R P49146 1/20 0.30
NR1H3 Q13133 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL9822971 0.96 KCNH2 (0.49) KCNH2TGFBR1SMN1; SMN2PDE10A
SCHEMBL10690694 0.92 KCNH2 (0.35) KCNH2TGFBR1PDE10APIK3CDPIK3R1
SCHEMBL9823067 0.82 TGFBR1 (0.32) TGFBR1TLR7PIK3CDPIK3R1PIK3CA
SCHEMBL10693416 0.74 KCNH2 (0.38) KCNH2TGFBR1PIK3CAPIK3CB
SCHEMBL10749061 0.72 NR1H3 (0.32) NPY2RNR1H3ADORA3
SCHEMBL10691008 0.70 AOC3 (0.35) KCNH2TGFBR1PDE10A
SCHEMBL10748780 0.70 KDM4E (0.50) TGFBR1SMN1; SMN2KDM4C
SCHEMBL1404092 0.69 KCNH2 (0.83) KCNH2TLR7NOS2
SCHEMBL8250521 0.69 KCNH2 (0.58) KCNH2TLR7NOS2
SCHEMBL7147211 0.68 KCNH2 (0.62) KCNH2PDE10A

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-0217552-B1 NOVEL PYRIDINE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND A PLANT DISEASE PROTECTANT CONTAINING THEM AS THE ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 EP claimed
EP-0217552-A2 Novel pyridine derivatives, method for production thereof and a plant disease protectant containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-04-08 EP claimed
JP-62149673-A None JP disclosed
US-4769376-A Certain tri- or tetra-substituted pyridyl-1,2,4-triazoles useful as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-06 US disclosed
JP-S62149673-A PYRIDINE DERIVATIVE, PRODUCTION THEREOF AND PLANT BLIGHT CONTROLLING AGENT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1987-07-03 JP disclosed
EP-0217552-A2 Novel pyridine derivatives, method for production thereof and a plant disease protectant containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-04-08 EP disclosed