SCHEMBL9847093

SCHEMBL9847093

CCc1nc2c(C)c(C)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.46
▸ DDAH1 O94760 1/20 0.46
▸ OPRM1 P35372 1/20 0.43
▸ ADORA1 P30542 4/20 0.42
▸ ADORA3 P0DMS8 3/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PARP14 Q460N5 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ CHEK1 O14757 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6757251 0.86 CBFB (0.44) CBFBOPRM1ADAMTS5EGLN1NPC1
SCHEMBL10299147 0.84 DDAH1 (0.44) DDAH1OPRM1ADORA1ADORA3ADORA2A
SCHEMBL4069917 0.84 CBFB (0.45) CBFBOPRM1ADAMTS5EGLN1GAA
SCHEMBL23227712 0.84 CBFB (0.45) CBFBOPRM1ADAMTS5EGLN1NPC1
SCHEMBL5738714 0.84 CBFB (0.45) CBFBOPRM1ADAMTS5EGLN1GAA
SCHEMBL6756137 0.83 CBFB (0.42) CBFBOPRM1ADAMTS5HTT
SCHEMBL18966965 0.82 DDAH1 (0.43) DDAH1OPRM1ADORA1ADORA3ADORA2A
SCHEMBL6755343 0.82 CBFB (0.44) CBFBOPRM1ADAMTS5EGLN1GAA
SCHEMBL6756143 0.82 CBFB (0.41) CBFBOPRM1
SCHEMBL6756153 0.81 KDM4E (0.44) CBFBOPRM1ADORA1ADORA3ADORA2A

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-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 — — EP claimed
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 — — EP disclosed
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