SCHEMBL7398331

SCHEMBL7398331

O=C(Cc1ccc([N+](=O)[O-])cc1)OC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.45
LOXL2 Q9Y4K0 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
SCHEMBL10996751 0.84 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL28800245 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9710536 0.81 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11794354 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9710538 0.79 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL24475548 0.78 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2441292 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4808027 0.78 CES1 (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL521069 0.78 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL30912986 0.78 DPP4 (0.45) ALDH1A1MAPTHTTCYP1A2CYP2C19

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