SCHEMBL16215997

SCHEMBL16215997

Cc1sc(-c2ccc(Cl)c(Cl)c2)nc1C1C(=O)C2CC[C@H](C2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A4 P31645 1/20 0.34
▸ MAP3K14 Q99558 4/20 0.34
▸ PKM P14618 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KMO O15229 1/20 0.32

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
SCHEMBL10237915 1.00 SLC6A3 (0.39) SLC6A3KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10237917 0.92 DHODH (0.35) SLC6A3KDM4EMAPTACHENPC1
SCHEMBL10237901 0.92 PDE3B (0.34) SLC6A3MAPTPDE3BPDE3AABL1
SCHEMBL16215977 0.90 CYP11B1 (0.34) SLC6A3ABL1PDE4APDE4BPDE4C
SCHEMBL10237927 0.90 CYP11B1 (0.34) SLC6A3ABL1PDE4APDE4BPDE4C
SCHEMBL10237906 0.87 NOTUM (0.46) KDM4EALDH1A1MAPTPDE3BPDE3A
SCHEMBL10238063 0.87 EIF4E (0.35) KDM4EALDH1A1MAPTL3MBTL1PDE4A
SCHEMBL10237934 0.86 RAB9A (0.40) SLC6A3KDM4EALDH1A1MAPTACHE
SCHEMBL10237945 0.85 SLC6A3 (0.37) SLC6A3KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10238084 0.85 S1PR1 (0.48) —

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
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
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