SCHEMBL5286240

SCHEMBL5286240

Cc1ccc(C2(C)N=NN=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 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
SCHEMBL19033437 0.90 ACHE (0.44) ACHETDP1MAOBMAOAALDH1A1
SCHEMBL1128391 0.78 MMP2 (0.41) ACHEALDH1A1LMNACA1CA2
SCHEMBL29278372 0.73 ACHE (0.38) ACHETDP1MAOBMAOAALDH1A1
SCHEMBL7408608 0.73 CA1 (0.32) CA1CA2
SCHEMBL3057032 0.73
SCHEMBL4594159 0.70 ACHE (0.35) ACHETDP1MAOBMAOAALDH1A1
SCHEMBL16877179 0.70 ACHE (0.35) ACHETDP1MAOBMAOAALDH1A1
SCHEMBL4593516 0.69 ACHE (0.33) ACHETDP1MAOBMAOALMNA
SCHEMBL13619662 0.67 KIF11 (0.45) ACHETDP1MAOBMAOALMNA
SCHEMBL2595557 0.65 LMNA (0.41) ACHEALDH1A1LMNA

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed