SCHEMBL9779606

SCHEMBL9779606

Cc1nc(-c2ccco2)cc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MTOR P42345 1/20 0.42
IRAK1 P51617 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
Hydrochloric Acid SCHEMBL9779407 0.95 TDP1 (0.53) LMNATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL9601411 0.89 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KDM4E
Hydrochloric Acid SCHEMBL9873583 0.89 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KDM4E
Hydrochloric Acid SCHEMBL9603062 0.89 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL9779635 0.88 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL9779265 0.87 LMNA (0.50) LMNAALDH1A1MAPTMAPK1KDM4E
Hydrochloric Acid SCHEMBL9779403 0.87 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL10339856 0.85 SMN1; SMN2 (0.53) LMNAL3MBTL1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL9779445 0.84 LMNA (0.50) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL9779512 0.82 TDP1 (0.54) LMNATDP1L3MBTL1ALDH1A1KDM4E

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-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed