SCHEMBL9870796

SCHEMBL9870796

Cn1c(N2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 8/20 0.47
TERT O14746 8/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL9385477 0.90 KMT2A (0.49) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9384406 0.87 LMNA (0.61) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9429270 0.86 TP53 (0.60) LMNAALDH1A1TERTMEN1KMT2A
Oxalic Acid SCHEMBL9384506 0.85 LMNA (0.57) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9385273 0.81 HRH3 (0.60) ALDH1A1MEN1KMT2A
SCHEMBL9388604 0.81 KMT2A (0.60) ALDH1A1MEN1KMT2AMAPT
SCHEMBL9870792 0.80 SMN1; SMN2 (0.50) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4746764 0.80 LMNA (0.75) LMNAALDH1A1TERTMEN1KMT2A
SCHEMBL9384842 0.79 KCNJ1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL4749971 0.79 LMNA (0.73) LMNAALDH1A1TERTMEN1KMT2A

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