SCHEMBL4037859

SCHEMBL4037859

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 1/20 0.39
TACR1 P25103 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4037858 1.00 L3MBTL1 (0.48) L3MBTL1LMNAEPHX2ALDH1A1MEN1
SCHEMBL3918973 0.86 L3MBTL1 (0.46) L3MBTL1LMNAEPHX2ALDH1A1MEN1
SCHEMBL3918975 0.86 L3MBTL1 (0.46) L3MBTL1LMNAEPHX2ALDH1A1MEN1
SCHEMBL4038204 0.82 EPHX2 (0.47) L3MBTL1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4041475 0.81 MMP2 (0.39) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL3927380 0.81 CYP2D6 (0.45) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL4032408 0.80 ALDH1A1 (0.52) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2938747 0.80 LMNA (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL3918144 0.79 MMP2 (0.53) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4035567 0.78 LMNA (0.48) LMNAALDH1A1MEN1KMT2AMAPT

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
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed