SCHEMBL7911289

SCHEMBL7911289

Cc1nc2c(cc1C(=O)O)CCCCC2O[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC9A1 P19634 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.31
ATM Q13315 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL7913326 0.88 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2TP53MAPK1
SCHEMBL7913336 0.81 ALDH1A1 (0.32) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL8136170 0.77 SLC9A1 (0.39) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL5556431 0.74 SLC9A1 (0.40) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7916678 0.73 KDM4E (0.30) ALDH1A1KDM4ENPC1
SCHEMBL5556439 0.73 SLC9A1 (0.36) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7902834 0.73 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL7902827 0.72 KDM4E (0.44) ALDH1A1KDM4ELMNASMN1; SMN2MAPK1
SCHEMBL7910229 0.71 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL7913098 0.71 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2TP53MAPK1

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