SCHEMBL4733973

SCHEMBL4733973

NS(=O)(=O)c1cccc([N+](=O)[O-])c1NCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 2/20 0.41
POLB P06746 1/20 0.40
NPY5R Q15761 3/20 0.40
NPY1R P25929 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 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
SCHEMBL25434751 0.87 METAP2 (0.39) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL29903263 0.86 NSD2 (0.45) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL30802191 0.85 NPY5R (0.37) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL25176203 0.85 NPY5R (0.41) KMT2AMEN1ALDH1A1HTTNPY5R
SCHEMBL30313896 0.85 NPY5R (0.41) KMT2AMEN1ALDH1A1HTTNPY5R
SCHEMBL25176450 0.85 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL29482112 0.84 NPY5R (0.38) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL25169463 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL30349660 0.77 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTCA2
SCHEMBL23908116 0.76 MAPT (0.42) KMT2AMEN1ALDH1A1MAPTCA2

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-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed