SCHEMBL6411644

SCHEMBL6411644

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)CC(OC(=O)O)=NO2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 2/20 0.50
MAPT P10636 4/20 0.47
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
PIK3CA P42336 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL6411638 0.87 L3MBTL1 (0.57) L3MBTL1LMNAMAPTEPHX2SMN1; SMN2
SCHEMBL6409410 0.86 FAAH (0.48) L3MBTL1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6411317 0.85 TP53 (0.41) MAPTSMN1; SMN2HTTPOLBTNF
SCHEMBL6411508 0.85 L3MBTL1 (0.45) L3MBTL1LMNAMAPTEPHX2SMN1; SMN2
SCHEMBL6409449 0.78 CYP2C19 (0.49) L3MBTL1LMNASMN1; SMN2HTTPOLB
SCHEMBL2400381 0.77 EPHX2 (0.51) L3MBTL1LMNAMAPTEPHX2SMN1; SMN2
SCHEMBL2404605 0.76 L3MBTL1 (0.47) L3MBTL1LMNAMAPTEPHX2SMN1; SMN2
SCHEMBL2400766 0.76 L3MBTL1 (0.45) L3MBTL1LMNAMAPTEPHX2SMN1; SMN2
SCHEMBL6417412 0.76 ATM (0.51) L3MBTL1MAPTSMN1; SMN2HTTPOLB
SCHEMBL6412249 0.76 JAK2 (0.43) L3MBTL1SMN1; SMN2HTTALDH1A1GAA

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed