SCHEMBL4740422

SCHEMBL4740422

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 5/20 0.46
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
EPHX2 P34913 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4787137 0.87 DPP4 (0.49) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL4740078 0.80 GAA (0.50) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL4740423 0.79 SIRT2 (0.48) POLBSIRT2MEN1KMT2ALMNA
SCHEMBL4738282 0.76 ALDH1A1 (0.50) POLBMEN1KMT2ALMNAHTT
SCHEMBL4736650 0.76 P2RX7 (0.53) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4740908 0.75 P2RX7 (0.49) LMNAHTTMAPTUSP2GAA
SCHEMBL4737593 0.74 LMNA (0.57) POLBMEN1KMT2ALMNAHTT
SCHEMBL4736709 0.74 LMNA (0.57) POLBMEN1KMT2ALMNAHTT
SCHEMBL4741721 0.74 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4740625 0.73 LMNA (0.57) LMNAHTTMAPTSMN1; SMN2ALDH1A1

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