SCHEMBL9082196

SCHEMBL9082196

CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HSPB1 P04792 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
MYOC Q99972 1/20 0.44
SRD5A2 P31213 1/20 0.43
FFAR1 O14842 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CRHBP P24387 1/20 0.41

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
SCHEMBL9485717 0.91 HSPB1 (0.53) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL9082994 0.91 HSPB1 (0.59) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL9497275 0.91 HSPB1 (0.59) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL9081035 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AESR1
SCHEMBL8494189 0.85 ALDH1A1 (0.44) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL8999322 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9082564 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8493441 0.84 HSPB1 (0.56) ALDH1A1HSPB1MEN1KMT2AMAPT
SCHEMBL8497120 0.82 CYP1A2 (0.47) ALDH1A1HSPB1MEN1KMT2AHTT
SCHEMBL9082404 0.81 HTT (0.49) ALDH1A1HSPB1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525704-A AROMATIC THERMOSETTING RESIN COMPRISING AROMATIC DIAMINE AND BISMALEIMIDE MONOMERS; FLEXIBILITY, WORKABILITY AND MOLDABILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1996-06-11 US disclosed
US-5484948-A FOR MANUFACTURING POLYIMIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-16 US disclosed
EP-0451405-B1 Thermosetting resin composition MITSUI TOATSU CHEMICALS (JP) 1994-12-14 EP disclosed
US-5364967-A Addition-type polyimides, flexibility, solubility MITSUI TOATSU CHEMICALS, INC. (JP) 1994-11-15 US disclosed
EP-0430430-B1 Polyimide MITSUI TOATSU CHEMICALS (JP) 1994-09-21 EP disclosed
EP-0425265-B1 Aromatic diamine compounds, bismaleimide compounds, thermosetting resins forming compositions therefrom, resins therefrom, and methods for their preparation MITSUI TOATSU CHEMICALS (JP) 1994-08-03 EP disclosed
US-5206438-A AROMATIC DIAMINE COMPOUNDS, BISMALEIMIDE COMPOUNDS, THERMOSETTING RESIN FORMING COMPOSITIONS THEREFROM, RESINS THEREFROM, AND METHODS FOR THEIR PREPARATION MITSUI TOATSU CHEMICALS, INC. (JP) 1993-04-27 US disclosed
US-5196506-A Heat resistance MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-23 US disclosed
US-5104962-A Also containing bismaleimide groups; toughness, heat resistance MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-14 US disclosed
EP-0451405-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed
EP-0430430-A2 Polyimide MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed
EP-0425265-A1 Aromatic diamine compounds, bismaleimide compounds, thermosetting resins forming compositions therefrom, resins therefrom, and methods for their preparation MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-05-02 EP disclosed