SCHEMBL6920508

SCHEMBL6920508

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(NC(=O)Cc3ccc(F)cc3)c21.Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 5/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL6714088 0.92 THRB (0.46) ALBTHRBALDH1A1MEN1KMT2A
SCHEMBL6710533 0.87 ALDH1A1 (0.34) ALDH1A1LMNAPOLBKDM4E
SCHEMBL6711760 0.83 ALB (0.53) ALBALDH1A1MEN1KMT2ALMNA
SCHEMBL6709926 0.83 ALB (0.55) ALBALDH1A1MEN1KMT2ALMNA
SCHEMBL6707649 0.82 MEN1 (0.54) ALBTHRBALDH1A1MEN1KMT2A
SCHEMBL6709196 0.81 THRB (0.46) ALBTHRBALDH1A1MEN1KMT2A
SCHEMBL6713278 0.79 HSD17B10 (0.38) ALBALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6707787 0.79 ALB (0.49) ALBTHRBALDH1A1MEN1KMT2A
SCHEMBL6708677 0.78 PKM (0.34) THRBLMNA
SCHEMBL6835834 0.78 ALB (0.64) ALBTHRBALDH1A1MEN1KMT2A

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed