SCHEMBL9671678

SCHEMBL9671678

C#CCOc1ccc(N)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.53
▸ MAOA P21397 7/20 0.53
▸ ACHE P22303 1/20 0.53
▸ NR4A1 P22736 1/20 0.50
▸ CA12 O43570 6/20 0.49
▸ CA4 P22748 6/20 0.49
▸ CA9 Q16790 6/20 0.49
▸ CA1 P00915 2/20 0.49
▸ GSTP1 P09211 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SNCA P37840 1/20 0.40

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
SCHEMBL10963900 0.83 MAOB (0.49) MAOBMAOAACHECA12CA4
SCHEMBL2024267 0.79 MAOB (0.45) MAOBMAOAACHECA12CA4
SCHEMBL14149542 0.79 MAOB (0.45) MAOBMAOAACHECA12CA4
SCHEMBL9061932 0.79 CA12 (0.64) MAOBMAOAACHECA12CA4
SCHEMBL28451341 0.78 GSTP1 (0.51) MAOBMAOAACHECA12CA4
SCHEMBL5704167 0.78 CA12 (0.63) MAOBMAOAACHECA12CA4
SCHEMBL20530611 0.77 MAOB (0.54) MAOBMAOAACHECA12CA4
SCHEMBL126400 0.77 CA12 (0.58) MAOBMAOAACHECA12CA4
SCHEMBL20982602 0.77 MAPT (0.66) MAOBMAOAACHECA12CA4
SCHEMBL9671404 0.77 SNCA (0.51) MAOBMAOAACHECA12CA4

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-0509717-A2 New herbicidal compositions RHONE POULENC AGRICULTURE LTD. (GB) 1992-10-21 — — EP disclosed
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