SCHEMBL3856069

SCHEMBL3856069

C=CCc1nnc(CC=C)c(CC=C)c1CC=C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL456738 0.83
SCHEMBL5447243 0.80 NPSR1 (0.34) NPSR1ALDH1A1
SCHEMBL17961910 0.75
SCHEMBL1981454 0.74 NPSR1 (0.33) NPSR1
SCHEMBL5831274 0.73 ALDH1A1 (0.33) NPSR1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3856071 0.71 NPSR1 (0.30) NPSR1
SCHEMBL5449547 0.69 IMPDH2 (0.31)
SCHEMBL7601080 0.69 KDM4E (0.32) NPSR1ALDH1A1
SCHEMBL3258986 0.69 KDM4E (0.33) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL11119104 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5271652-A None JP disclosed
EP-1237863-B1 N-SUBSTITUTED PERFLUOROALKYLATED PYRROLIDINES, PROCESS FOR MAKING THEM AND PROCESS FOR THE ADDITION OF RF-IODIDE TO AN OLEFIN BASF SE (DE) 2009-09-23 EP disclosed
EP-1237863-A1 N-SUBSTITUTED PERFLUOROALKYLATED PYRROLIDINES, PROCESS FOR MAKING THEM AND PROCESS FOR THE ADDITION OF RF-IODIDE TO AN OLEFIN Ciba SC Holding AG (CH) 2002-09-11 EP disclosed
US-6436235-B1 PREPARED FROM DIALLYLAMINE, PERFLUOROALKYL IODIDE AND AMINO REACTIVE COMPOUND SELECTED FROM CARBOXYLIC ACIDS, ANHYDRIDES, ACID CHLORIDES, OXIRANES, HALOALKANES, ISOCYANATES, UREAS AND METHACRYLICS; SURFACTANTS, OIL PROOFING PAPER AND TEXTILES CIBA SPECIALTY CHEMICALS CORPORATION 2002-08-20 US disclosed
WO-2001028998-A1 N-SUBSTITUTED PERFLUOROALKYLATED PYRROLIDINES, PROCESS FOR MAKING THEM AND PROCESS FOR THE ADDITION OF RF-IODIDE TO AN OLEFIN CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-04-26 WO disclosed
US-6121994-A Image forming apparatus and light emitting apparatus CANON KABUSHIKI KAISHA (JP) 2000-09-19 US disclosed
JP-H05271652-A ORGANIC THIN-FILM EL ELEMENT TOPPAN PRINTING CO LTD 1993-10-19 JP disclosed