SCHEMBL9877010

SCHEMBL9877010

CC(C)(C)C(=O)C(C#N)=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 17/20 0.66
RAPGEF4 Q8WZA2 5/20 0.66
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL20523678 0.80 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL19501265 0.79 RAPGEF3 (0.54) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL15188849 0.76 RAPGEF3 (1.00) RAPGEF3
SCHEMBL15941311 0.76 RAPGEF3 (1.00) RAPGEF3
SCHEMBL8745992 0.76 RAPGEF3 (0.52) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL20523703 0.73 RAPGEF3 (1.00) RAPGEF3RAPGEF4
SCHEMBL20523697 0.72 RAPGEF3 (1.00) RAPGEF3RAPGEF4
SCHEMBL16664631 0.71 RAPGEF3 (0.88) RAPGEF3
SCHEMBL20838578 0.71 RAPGEF3 (0.57) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL20523743 0.69 RAPGEF3 (1.00) RAPGEF3RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed