SCHEMBL8916832

SCHEMBL8916832

O=[N+]([O-])c1n[nH]c(S(=O)(=O)c2cccc3cccnc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PDE10A Q9Y233 1/20 0.47
NFKBIA P25963 4/20 0.46
RELA Q04206 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
OPRK1 P41145 2/20 0.46
SLC40A1 Q9NP59 2/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
APOBEC3G Q9HC16 2/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL11225130 0.72 MAPK1 (0.53) MAPK1CA1CA2CA9MEN1
SCHEMBL29352125 0.70 KMT2A (0.51) PKMMAPK1CA1CA2CA9
SCHEMBL4340669 0.70 KMT2A (0.51) PKMMAPK1CA1CA2CA9
SCHEMBL6391097 0.69 PDE10A (0.56) PKMMAPK1CA1CA2CA9
SCHEMBL13241507 0.68 MAPK1 (0.62) MAPK1CA1CA2CA9NFKBIA
SCHEMBL7073865 0.67 MAPT (0.61) MAPK1CA1CA2CA9MEN1
Potassium Ion SCHEMBL31267534 0.67 MAPK1 (0.66) PKMMAPK1CA1CA2CA9
SCHEMBL4108638 0.67 MAPK1 (0.66) PKMMAPK1CA1CA2CA9
SCHEMBL7268288 0.67 ALDH1A1 (0.32) NPSR1ALDH1A1
SCHEMBL27592567 0.66 MAPK1 (0.70) MAPK1CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700785-A ADMINISTERING TO TREAT RETROVIRAL INFECTIONS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1997-12-23 US disclosed
EP-0716856-A2 Therapeutic uses of 2',5'-oligoadenylate derivatives Temple University of the Commonwealth System of Higher Education (US) 1996-06-19 EP disclosed
EP-0420872-A4 THERAPEUTIC USES OF 2',5'-OLIGOADENYLATE DERIVATIVES 1992-10-21 EP disclosed
EP-0420872-A1 THERAPEUTIC USES OF 2',5'-OLIGOADENYLATE DERIVATIVES. UNIV TEMPLE (US) 1991-04-10 EP disclosed
US-4859768-A Derivatives of 2', 5'-oligoadenylate and antiviral uses thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1989-08-22 US disclosed