SCHEMBL7398333

SCHEMBL7398333

O=C(CC(F)(F)F)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.60
CTNNB1 P35222 1/20 0.60
GAA P10253 1/20 0.51
PTPN7 P35236 1/20 0.51
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.48
MGLL Q99685 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSPB1 P04792 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KCNH2 Q12809 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
SCHEMBL10996747 0.84 BCL9 (0.65) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL27560276 0.81 BCL9 (0.66) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL9967879 0.81 BCL9 (0.70) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL957930 0.81 BCL9 (0.81) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL12687333 0.80 BCL9 (0.60) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL13320022 0.80 BCL9 (0.64) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL11718045 0.80 BCL9 (0.68) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL3749119 0.80 BCL9 (0.68) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL6819876 0.78 HTR2A (0.53) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL734833 0.78 GAA (0.56) BCL9CTNNB1GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230242-A1 USE OF 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES TO STIMULATE REGENERATION OF NERVOUS TISSUE Neotherapeutics, Inc. (US) 2002-08-14 EP disclosed
WO-2001036419-A9 USE OF 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES TO STIMULATE REGENERATION OF NERVOUS TISSUE NEOTHERAPEUTICS INC (US) 2002-08-08 WO disclosed
US-6288069-B1 Use of 9-substituted hypoxanthine derivatives to stimulate regeneration of nervous tissue NEOTHERAPEUTICS, INC. 2001-09-11 US disclosed
WO-2001036419-A1 USE OF 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES TO STIMULATE REGENERATION OF NERVOUS TISSUE NEOTHERAPEUTICS, INC. (US) 2001-05-25 WO disclosed
EP-0522082-B1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1997-07-02 EP disclosed
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE 1993-06-09 EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 EP disclosed
US-5091432-A Synergistic SPECTRUM PHARMACEUTICALS, INC. 1992-02-25 US disclosed
WO-1991014434-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1991-10-03 WO disclosed