SCHEMBL5698696

SCHEMBL5698696

COc1ccc(-c2ccc(C)n2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 3/20 0.47
MAPK1 P28482 2/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.47
PTGS2 P35354 3/20 0.47
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL7210127 0.83 PTGS2 (0.62) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7210272 0.80 PTGS2 (0.74) MAPTKDM4EHPGDALDH1A1PTGS2
SCHEMBL6285757 0.79 MAPT (0.51) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5311980 0.78 PTGS2 (0.64) MAPTKDM4EHPGDALDH1A1PTGS2
SCHEMBL6279769 0.77 HTT (0.50) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL28604247 0.77 HSD17B10 (0.56) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL3974325 0.77 APP (0.74) APPMEN1KMT2AMAPTKDM4E
SCHEMBL2455303 0.77 APP (0.74) APPMEN1KMT2AMAPTKDM4E
SCHEMBL7239500 0.75 MAPT (0.59) APPMEN1KMT2AMAPTKDM4E
SCHEMBL492221 0.75 APP (0.70) APPMEN1KMT2AMAPTLMNA

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
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed