SCHEMBL10706339

SCHEMBL10706339

O=c1ncn(CCO)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ADORA2B P29275 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL434948 0.71
SCHEMBL7265607 0.69 PLA2G4A (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL31285260 0.68
SCHEMBL1665198 0.68
SCHEMBL5199338 0.68
SCHEMBL27972765 0.66 L3MBTL1 (0.51) LMNAKMT2AMEN1ALDH1A1THRB
SCHEMBL7265612 0.65 CPB2 (0.34) CA12CA1CA2CA9
SCHEMBL4375225 0.63 CA12 (0.47) LMNAKMT2AMEN1CA12CA1
SCHEMBL28704555 0.63 CYP2C9 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL11788 0.59

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
EP-0164314-B1 SULFOXONIUM SALTS CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
EP-0164314-A2 Sulfoxonium salts CIBA-GEIGY AG (CH) 1985-12-11 EP disclosed
US-4398014-A Sulfoxonium salts and their use as polymerization catalysts CIBA-GEIGY CORPORATION (US) 1983-08-09 US disclosed
US-4383025-A Photopolymerization by means of sulfoxonium salts CIBA-GEIGY CORPORATION (US) 1983-05-10 US disclosed
EP-0022081-B1 POLYMERISABLE COMPOSITIONS CONTAINING SULPHOXONIUM SALTS AND PROCESS FOR THE PRODUCTION OF HIGH MOLECULAR WEIGHT PRODUCTS FROM THESE COMPOSITIONS BY IRRADIATION CIBA-GEIGY AG (CH) 1983-02-09 EP disclosed
US-4339567-A Photopolymerization by means of sulphoxonium salts CIBA-GEIGY CORPORATION (US) 1982-07-13 US disclosed
US-4299938-A PUTTIES AND FILLERS CIBA-GEIGY CORPORATION (US) 1981-11-10 US disclosed
EP-0022081-A1 Polymerisable compositions containing sulphoxonium salts and process for the production of high molecular weight products from these compositions by irradiation CIBA-GEIGY AG (CH) 1981-01-07 EP disclosed