SCHEMBL7024544

SCHEMBL7024544

CC(C)N(C(C)C)P(OCCc1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.46
TSHR P16473 1/20 0.45
KCNJ1 P48048 5/20 0.41
IDO1 P14902 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7024828 0.86 KCNH2 (0.44) KCNH2TSHRKCNJ1IDO1KDM4E
SCHEMBL14247542 0.85 IDO1 (0.50) TSHRIDO1LOXL2ALDH1A1LMNA
SCHEMBL22801204 0.79 CYP1A2 (0.38) KCNH2IDO1ALDH1A1MAPT
SCHEMBL12202764 0.79 TSHR (0.53) KCNH2TSHRKCNJ1IDO1LOXL2
SCHEMBL6753829 0.78 KCNH2 (0.49) KCNH2TSHRKCNJ1IDO1LOXL2
SCHEMBL22801232 0.77 TAAR1 (0.42) KDM4EMAPT
SCHEMBL21178001 0.77 CA1 (0.41) IDO1
SCHEMBL7805282 0.75 TSHR (0.58) KCNH2TSHRKCNJ1IDO1LOXL2
Hydrochloric Acid SCHEMBL9772287 0.74 TSHR (0.56) KCNH2TSHRKCNJ1IDO1LOXL2
SCHEMBL4985770 0.73 TSHR (0.58) KCNH2TSHRKCNJ1IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777485-B1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 2003-02-19 EP disclosed
EP-0818460-B1 Synthesis of Oligonucleotides on a solid support. AVENTIS PHARMA GMBH (DE) 2003-01-15 EP disclosed
US-5936077-A PROTECTING EXOCYCLIC AMINO GROUPS OF NUCLEOTIDE WITH A CYCLIC DIACYL GROUP; COUPLING NUCLEOTIDE TO SOLID SUPPORT; SEQUENTIALLY LINKING NUCLEOTIDES TOGETHER; DEPROTECTING WITH STRONG, NONNUCLEOPHILIC BASE IN ORGANIC SOLVENT HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
US-5866700-A Solid-phase synthesis of oligoribonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
EP-0777485-A4 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 1998-12-02 EP disclosed
EP-0818460-A2 Synthesis of Oligonucleotides on a solid support. HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-14 EP disclosed
US-5652358-A Solid-phase synthesis of oligoribonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
US-5643889-A Cholesterol conjugates of 2'5'-oligoadenylate derivatives and antiviral uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF PENNSYLVANIA (US) 1997-07-01 US disclosed
EP-0777485-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 1997-06-11 EP disclosed
WO-1996008256-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1996-03-21 WO disclosed