SCHEMBL4740423

SCHEMBL4740423

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)ONNC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.42
G6PD P11413 1/20 0.42
USP2 O75604 1/20 0.42
ALB P02768 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL4787140 0.88 POLB (0.51) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4741026 0.84 ALDH1A1 (0.52) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4795192 0.84 CYP3A4 (0.55) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4740080 0.82 GAA (0.47) GAALMNAMAPTHTTPOLB
SCHEMBL4740422 0.79 POLB (0.50) SIRT2GAAMEN1KMT2ALMNA
SCHEMBL4736655 0.78 HSD17B10 (0.47) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4740909 0.77 CYP2C19 (0.46) GAAMEN1KMT2AALDH1A1USP2
SCHEMBL4807472 0.71 CYP3A4 (0.50) GAAMEN1KMT2ALMNAMAPT
SCHEMBL4740406 0.71 ALDH1A1 (0.44) GAAMEN1KMT2ALMNAHTT
SCHEMBL4739855 0.71 KMT2A (0.58) GAAMEN1KMT2ALMNASMN1; 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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed