SCHEMBL9326257

SCHEMBL9326257

O=[N+]([O-])c1ccc(Oc2nc(Oc3ccc([N+](=O)[O-])cc3)nc(Oc3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.74
HSPB1 P04792 2/20 0.60
LMNA P02545 3/20 0.56
RAB9A P51151 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
PIK3C3 Q8NEB9 3/20 0.50
SRD5A2 P31213 1/20 0.50
GAA P10253 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL23142534 0.91 LMNA (0.71) HTTHSPB1LMNARAB9AMEN1
SCHEMBL1087188 0.87 HTT (0.73) HTTHSPB1LMNARAB9AMEN1
SCHEMBL10827290 0.86 HTT (1.00) HTTHSPB1LMNARAB9AMEN1
SCHEMBL2011179 0.84 HSPB1 (0.79) HTTHSPB1LMNARAB9AMEN1
SCHEMBL9183872 0.84 HSPB1 (0.79) HTTHSPB1LMNARAB9AMEN1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.84 HSPB1 (0.79) HTTHSPB1LMNARAB9AMEN1
SCHEMBL11689190 0.84 HSPB1 (0.79) HTTHSPB1LMNARAB9AMEN1
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.82 HSPB1 (0.76) HTTHSPB1LMNARAB9AMEN1
SCHEMBL3208134 0.78 HSPB1 (0.70) HTTHSPB1LMNARAB9AMEN1
SCHEMBL311582 0.78 KMT2A (0.73) HTTHSPB1LMNARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039964-A Tetrahedral cage-like structure complex and preparation method thereof 南京工业大学 2020-04-21 CN disclosed
EP-0303108-B1 Light-sensitive composition, registration material prepared therefrom and process for the production of negative relief images HOECHST AG (DE) 1994-02-23 EP disclosed
US-5102929-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0451359-A1 Blends of polyarylenesulphides, glassfibres and nitroaryloxyheterocyclics BAYER AG (DE) 1991-10-16 EP disclosed
US-4990429-A Process for the production of negative relief copies utilizing reversal processing HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4889788-A Photosensitive composition, photosensitive copying material prepared from this composition with thermal hardening symmetric triazine alkyl(aryl)-ether HOECHST AKTIENGESELLSCHAFT (DE) 1989-12-26 US disclosed
EP-0303108-A2 Light-sensitive composition, registration material prepared therefrom and process for the production of negative relief images HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP disclosed