SCHEMBL8778065

SCHEMBL8778065

CCCCCCCNC(=O)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
EPHX1 P07099 8/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 2/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATG4B Q9Y4P1 2/20 0.44

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
SCHEMBL29376098 0.81 EPHX1 (0.56) EPHX1HTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL28694103 0.81 EPHX1 (0.56) EPHX1HTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL8596871 0.81 LMNA (0.67) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8777838 0.80 EPHX1 (0.55) EPHX1HTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL9854361 0.80 LMNA (0.56) LMNAALDH1A1KMT2AMEN1NPC1
SCHEMBL29908348 0.80 RAB9A (0.69) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8600968 0.79 KMT2A (0.50) LMNAHTTALDH1A1KMT2AALOX12
SCHEMBL29128667 0.75 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9687003 0.75 LMNA (0.54) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14099477 0.74 MAPT (0.68) LMNAHTTSMN1; SMN2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed