SCHEMBL7983604

SCHEMBL7983604

COc1cc2c3ccc(OC)c(OC)c3n(C(=O)c3cccc([N+](=O)[O-])c3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.58
PRKACA P17612 1/20 0.58
PRKACG P22612 1/20 0.58
PRKACB P22694 1/20 0.58
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
NTSR1 P30989 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SETD7 Q8WTS6 1/20 0.48
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 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
SCHEMBL7983836 0.79 SRC (0.55) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7988065 0.78 SRC (0.54) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7971057 0.77 SRC (0.52) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7970249 0.77 SRC (0.57) SRCPRKACAPRKACGPRKACBLMNA
SCHEMBL7981595 0.76 SRC (0.55) SRCPRKACAPRKACGPRKACBLMNA
SCHEMBL7987613 0.73 SRC (1.00) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7980253 0.70 SRC (0.55) SRCALDH1A1LMNATDP1MAPT
SCHEMBL7970472 0.70 SRC (0.55) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL5072126 0.70 MAPT (0.70) ALDH1A1LMNASETD7MAPTHTT
SCHEMBL27574689 0.69 SMN1; SMN2 (0.62) ALDH1A1LMNANTSR1TDP1SETD7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed