SCHEMBL14503569

SCHEMBL14503569

Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4CC(N)CC(N)C4)nc(N4CC(N)C4)n3)cc2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
PTGS2 P35354 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
CYBB P04839 1/20 0.37
NOX5 Q96PH1 1/20 0.37
NOX3 Q9HBY0 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
SCN9A Q15858 2/20 0.37

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
SCHEMBL5391464 1.00 MAPT (0.40) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5380923 0.99 MAPT (0.41) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL14428629 0.96 MAPT (0.39) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5384918 0.95 MAPT (0.38) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5391100 0.95 CAMK1D (0.39) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL14428604 0.95 CAMK1D (0.39) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5400876 0.95 CAMK1D (0.39) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5387463 0.92 MAPT (0.36) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5378133 0.92 CTNNB1 (0.40) MAPTPTGS2SMN1; SMN2LMNACYP1A2
SCHEMBL5380874 0.92 ALDH1A1 (0.46) MAPTPTGS2SMN1; SMN2LMNACYP1A2

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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed