SCHEMBL9779262

SCHEMBL9779262

COc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
LMNA P02545 3/20 0.67
MAPK1 P28482 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
HPGD P15428 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NPSR1 Q6W5P4 2/20 0.66
PAX8 Q06710 1/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.64
DBH P09172 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.59
BCHE P06276 3/20 0.58
MAOB P27338 2/20 0.58
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57

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
SCHEMBL9779258 1.00 MAPT (0.67) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9779565 0.87 MAPT (0.67) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9779561 0.87 MAPT (0.67) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6349920 0.86 KRAS (0.74) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6129099 0.86 KRAS (0.74) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL2411839 0.85 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL10415000 0.85 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL2411836 0.85 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9779575 0.85 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL25214553 0.84 MAOB (0.72) MAPTALDH1A1SMN1; SMN2LMNAMAPK1

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