SCHEMBL6822156

SCHEMBL6822156

Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ ACP1 P24666 5/20 0.55
▸ ABCG2 Q9UNQ0 5/20 0.52
▸ ABCB1 P08183 4/20 0.52
▸ ABCC1 P33527 2/20 0.52
▸ SLC2A1 P11166 2/20 0.49

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
SCHEMBL6824920 0.78 ADRA2A (0.56) GSK3AGSK3BACP1SLC2A1
SCHEMBL951744 0.72 MAPT (0.65) GSK3AGSK3B
SCHEMBL802669 0.72 GSK3B (1.00) GSK3AGSK3BACP1ABCG2ABCB1
SCHEMBL786208 0.72 GSK3A (0.65) GSK3AGSK3BACP1ABCG2ABCB1
SCHEMBL12090776 0.71 ACP1 (0.76) GSK3AGSK3BACP1ABCG2ABCB1
SCHEMBL6859623 0.71 ALDH1A1 (0.63) GSK3AGSK3B
SCHEMBL30946935 0.71 ALDH1A1 (0.63) GSK3AGSK3B
SCHEMBL30388558 0.71 ALDH1A1 (0.63) GSK3AGSK3B
SCHEMBL17600557 0.71 ALDH1A1 (0.63) GSK3AGSK3B
SCHEMBL27986152 0.71 ALDH1A1 (0.63) GSK3AGSK3B

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
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 — — WO disclosed
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