SCHEMBL9779265

SCHEMBL9779265

Cc1nc(-c2ccc(O)cc2)cc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HPGDS O60760 2/20 0.44
NPC1 O15118 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9601411 0.94 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL9603062 0.93 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL9873583 0.93 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL9779635 0.91 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL10339856 0.90 SMN1; SMN2 (0.53) LMNAALDH1A1MAPTHPGDKDM4E
Hydrochloric Acid SCHEMBL9779403 0.90 LMNA (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL9779606 0.87 LMNA (0.49) LMNAALDH1A1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL9779445 0.86 LMNA (0.50) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL9779416 0.85 KMT2A (0.52) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL9779411 0.84 KMT2A (0.53) LMNAALDH1A1MAPTKMT2AMEN1

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