SCHEMBL9870792

SCHEMBL9870792

CC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.42
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HPGD P15428 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
SCHEMBL9429265 0.87 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9870796 0.80 LMNA (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL9384406 0.79 LMNA (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9385637 0.78 LMNA (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL28304755 0.77 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
Oxalic Acid SCHEMBL9384506 0.76 LMNA (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9385477 0.76 KMT2A (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9385398 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9384016 0.74 SIRT6 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
Oxalic Acid SCHEMBL9389932 0.73 TDP1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT

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
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed