SCHEMBL7913326

SCHEMBL7913326

CCOC(=O)c1cc2c(nc1C)C(O[N+](=O)[O-])CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 4/20 0.41
ACHE P22303 4/20 0.41
OPRK1 P41145 3/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 2/20 0.38
OPRM1 P35372 1/20 0.38
TP53 P04637 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
SCHEMBL7911289 0.88 ALDH1A1 (0.34) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7902834 0.86 KDM4E (0.50) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7910229 0.85 KDM4E (0.48) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7913098 0.84 KDM4E (0.48) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7902827 0.84 KDM4E (0.44) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7913089 0.83 KDM4E (0.46) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7911353 0.82 KDM4E (0.52) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7913111 0.82 KDM4E (0.52) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7902939 0.81 KDM4E (0.51) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7916696 0.80 KDM4E (0.50) KDM4ENPC1RAB9ACASP3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed