SCHEMBL9588718

SCHEMBL9588718

CC(c1nnn[nH]1)c1cc(Cl)cc2[nH]c(-c3nnn[nH]3)nc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL9589244 0.78 DHODH (0.37) HTTCBFBADORA3ADORA1DHODH
SCHEMBL9588734 0.71 CBFB (0.32) HTTCBFBADORA3ADORA1DHODH
SCHEMBL9588392 0.69 CBFB (0.31) CBFB
SCHEMBL9590167 0.68 GPR17 (0.41) DHODH
SCHEMBL9591257 0.68 GRIN1 (0.36) CBFBDHODH
SCHEMBL9589104 0.67 DHODH (0.37) DHODH
SCHEMBL9588629 0.66 GRIN1 (0.34) DHODH
SCHEMBL9589206 0.66 GRIN2D (0.32) DHODH
SCHEMBL5301098 0.64 TP53 (0.38) HTT
SCHEMBL9588523 0.64 CBFB (0.38) CBFB

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-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 — — US disclosed
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