SCHEMBL7913336

SCHEMBL7913336

Cc1nc2c(cc1C(=O)O)CCCCC2CO[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SLC9A1 P19634 1/20 0.32
KDM4C Q9H3R0 9/20 0.32
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL7902827 0.89 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL5556431 0.81 SLC9A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNATP53
SCHEMBL7911289 0.81 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2LMNATP53
SCHEMBL5556439 0.80 SLC9A1 (0.36) ALDH1A1KDM4ESMN1; SMN2LMNATP53
SCHEMBL5551035 0.80 HTR2A (0.39) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL5554772 0.77 KDM4C (0.33) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7912945 0.75
SCHEMBL8136170 0.75 SLC9A1 (0.39) ALDH1A1KDM4ESMN1; SMN2LMNATP53
SCHEMBL11018540 0.73 HTT (0.39) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL7913326 0.72 KDM4E (0.46) 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