SCHEMBL14503672

SCHEMBL14503672

Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(NCCN4CCNC4=O)nc(N4CCCCC4)n3)cc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ GBA1 P04062 8/20 0.43
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 4/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 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
SCHEMBL5386394 0.91 ACHE (0.43) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503158 0.87 ACHE (0.55) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503132 0.87 ACHE (0.55) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503645 0.86 ACHE (0.50) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503550 0.85 ACHE (0.43) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503647 0.83 ACHE (0.46) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503572 0.82 CNR2 (0.49) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503390 0.82 LMNA (0.51) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503568 0.82 ACHE (0.51) ACHEGBA1MAPTLMNANPSR1
SCHEMBL14503612 0.81 ACHE (0.49) ACHEGBA1MAPTLMNANPSR1

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
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