SCHEMBL14504499

SCHEMBL14504499

O=[N+]([O-])c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ GAA P10253 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HTT P42858 3/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 5/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.47

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
SCHEMBL5395733 0.82 MAPT (0.42) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL14502988 0.80 MEN1 (0.83) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL14503655 0.78 CTSL (0.64) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL14503926 0.78 PTGS2 (0.56) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL14428348 0.78 ABCG2 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14503691 0.76 IDH2 (0.50) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL14503535 0.75 MEN1 (0.74) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL14428347 0.73 TDP1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14504089 0.73 CA12 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14503948 0.72 KMT2A (0.52) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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
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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