SCHEMBL9778657

SCHEMBL9778657

NC(=O)c1ccc(C(c2ccc([N+](=O)[O-])cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
LMNA P02545 2/20 0.63
GAA P10253 1/20 0.63
CES1 P23141 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
HSD11B1 P28845 1/20 0.44
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 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
SCHEMBL9778815 0.86 TSHR (0.56) TSHRLMNAGAACES1TDP1
SCHEMBL8389000 0.85 ESR1 (0.52) TSHRCES1CA1CA2TDP1
Terephthalamide SCHEMBL27950892 0.83 TSHR (1.00) TSHRLMNAGAACES1CA1
SCHEMBL260727 0.83 TSHR (1.00) TSHRLMNAGAACES1CA1
Hydrochloric Acid SCHEMBL11203029 0.81 TSHR (0.96) TSHRLMNAGAACES1CA1
SCHEMBL7938532 0.80 ESR1 (0.64) LMNAGAACES1CA1CA2
SCHEMBL27554215 0.80 TSHR (0.85) TSHRLMNAGAACES1CA1
Hydrochloric Acid SCHEMBL27509957 0.79 TSHR (0.92) TSHRLMNAGAACES1CA1
Methyl Alcohol SCHEMBL27858599 0.79 TSHR (0.92) TSHRLMNAGAACES1CA1
SCHEMBL9742817 0.79 SRD5A2 (0.68) TDP1ALDH1A1SMN1; SMN2MAPK1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5074891-A Using aromatic fluorine-containing polyimide HOECHST CELANESE CORP. (US) 1991-12-24 US disclosed
EP-0410793-A1 Method of gas separation and membranes therefor HOECHST CELANESE CORPORATION (US) 1991-01-30 EP disclosed
US-4978742-A SOLUBLE POLYIMIDES HOECHST CELANESE CORP. (US) 1990-12-18 US disclosed
US-4952669-A AND AN AROMATIC TETRACARBOXYLIC ACID; IMPROVED SOLUBILITY; MELT SPINNING; FIBERS; FILMS; COMPRESSION MOLDINGS HOECHST CELANESE CORP. (US) 1990-08-28 US disclosed
EP-0361413-A1 Copolyimides prepared from 2-(3-aminophenyl)-2-(4-aminophenyl) hexafluoro propane HOECHST CELANESE CORPORATION (US) 1990-04-04 EP disclosed
EP-0361416-A1 Polyamides prepared from 2-(3-aminophenyl)-2-(4-aminophenyl) hexafluoro propane HOECHST CELANESE CORPORATION (US) 1990-04-04 EP disclosed
EP-0361415-A1 Polymers prepared from 2-(3-aminophenyl)-2-(4-aminophenyl) hexafluoro propane HOECHST CELANESE CORPORATION (US) 1990-04-04 EP disclosed
US-4914180-A Polyamides prepared from 2-(3-aminophenyl)-2-(4-aminophenyl) hexafluoro propane HOECHST CELANESE CORPORATION (US) 1990-04-03 US disclosed