SCHEMBL2238997

SCHEMBL2238997

N#Cc1ccc(C#[N+][O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CYP2A6 P11509 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.43
CA1 P00915 3/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
MMP3 P08254 1/20 0.41
ENPP2 Q13822 1/20 0.41
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CYP19A1 P11511 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
KIF11 P52732 2/20 0.37
FBP1 P09467 1/20 0.36

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
SCHEMBL7632252 0.86
SCHEMBL28264406 0.77 ENPP2 (0.44) ALDH1A1TSHRENPP2FBP1
Water SCHEMBL28254092 0.76 CA2 (0.69) CA2CYP2A6CA12CA9ALDH1A1
Water SCHEMBL28189314 0.76 CA2 (0.69) CA2CYP2A6CA12CA9ALDH1A1
SCHEMBL2503454 0.76 CA2 (0.69) CA2CYP2A6CA12CA9ALDH1A1
SCHEMBL45942 0.76 CA2 (0.69) CA2CYP2A6CA12CA9ALDH1A1
SCHEMBL10306546 0.74 CA1 (0.33) CA2CA9CA1MAOAMAOB
SCHEMBL2241107 0.74 LMNA (0.42) CA2CYP2A6CA12CA9ALDH1A1
SCHEMBL8938593 0.74 ALDH1A1 (0.46) CA2CYP2A6CA12CA9ALDH1A1
SCHEMBL28829194 0.73 CA2 (0.65) CA2CYP2A6CA12CA9ALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4537947-A Chain-extending functional polyimides by dipole reactions UNIVERSITY OF NOTRE DAME DU LAC (US) 1985-08-27 US claimed
CN-116199639-B Tris (3, 5-dimethyl-4-nitriloxyphenoxy) triazine compound and synthesis method thereof 西安近代化学研究所 2025-01-14 CN disclosed
CN-116462612-B Tetrafunctional aromatic nitrile oxide compound and synthesis method thereof 西安近代化学研究所 2024-07-02 CN disclosed
CN-116332803-B Trifunctional aromatic nitrile oxide compound and synthesis method thereof 西安近代化学研究所 2024-07-02 CN disclosed
CN-116003299-B Difunctional nitrile oxide, preparation method and application thereof 西安近代化学研究所 2024-05-28 CN disclosed
CN-115784933-B Difunctional nitrile oxide, preparation method and application thereof 西安近代化学研究所 2024-04-30 CN disclosed
CN-115536555-B 1, 2-Bis (2- (3, 5-dimethyl-4-nitriloxyphenoxy) ethoxy) ethane compound 西安近代化学研究所 2024-04-30 CN disclosed
CN-115784941-B Trifunctional nitrile oxide, preparation method and application thereof 西安近代化学研究所 2024-03-22 CN disclosed
CN-116462612-A Tetrafunctional aromatic nitrile oxide compound and synthesis method thereof 西安近代化学研究所 2023-07-21 CN disclosed
CN-116332803-A Trifunctional aromatic nitrile oxide compound and synthesis method thereof 西安近代化学研究所 2023-06-27 CN disclosed
US-5171828-A Monomers of bis(3,4-dicarboxyphenyl) ether, 3,3*,4,4*-biphenyltetracarboxylic acid, bis(p-aminophenyl) ether and p-phenylenediamine OCCIDENTAL CHEMICAL CORPORATION (US) 1992-12-15 US disclosed
US-4537947-A Chain-extending functional polyimides by dipole reactions UNIVERSITY OF NOTRE DAME DU LAC (US) 1985-08-27 US disclosed
US-4537947-A Chain-extending functional polyimides by dipole reactions UNIVERSITY OF NOTRE DAME DU LAC (US) 1985-08-27 US disclosed
US-4197397-A PHENOLS UNIVERSITY OF NOTRE DAME DU LAC (US) 1980-04-08 US disclosed
US-4060515-A Chain-extending nitrile end-capped polyimides UNIVERSITY OF NOTRE DAME DU LAC (US) 1977-11-29 US disclosed
US-4058505-A Chain-extending amine end-capped polyimides UNIVERSITY OF NOTRE DAME DU LAC (US) 1977-11-15 US disclosed
US-4026871-A Chain-extending phenolic end-capped polyimides UNIVERSITY OF NOTRE DAME (US) 1977-05-31 US disclosed
US-4026833-A CROSSLINKED FOAMS UNIVERSITY OF NOTRE DAME (US) 1977-05-31 US disclosed
US-3960814-A SEALS, DINITRILE COMPOUND THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-06-01 US disclosed
US-3935167-A Acetylenic polymers, trimers thereof and the production thereof UNIVERSITY PATENTS, INC. (US) 1976-01-27 US disclosed