SCHEMBL4619322

SCHEMBL4619322

CC1=Nc2ncc(-c3ccccc3)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.40
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GSK3B P49841 4/20 0.36
FLT3 P36888 4/20 0.36
PDGFRB P09619 3/20 0.36
KDR P35968 3/20 0.36
CDK8 P49336 3/20 0.36
PDGFRA P16234 2/20 0.36

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
SCHEMBL29154631 0.79 PDGFRB (0.43) MAPTCASP1NPC1RAB9ASMN1; SMN2
SCHEMBL24934068 0.79 KDM4E (0.36) MAPTSMN1; SMN2MAP4K4ALDH1A1TDP1
SCHEMBL24934392 0.77 EPHX2 (0.41) TBK1ALDH1A1KDM4E
SCHEMBL3910718 0.73 MEN1 (0.42) MAPTNPC1RAB9ASMN1; SMN2FLT3
SCHEMBL38661507 0.73 MEN1 (0.42) MAPTNPC1RAB9ASMN1; SMN2FLT3
SCHEMBL5850008 0.73 MEN1 (0.42) MAPTNPC1RAB9ASMN1; SMN2FLT3
SCHEMBL1658650 0.73 SMN1; SMN2 (0.33) MAPTSMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL10265050 0.73 HRH4 (0.31)
SCHEMBL3912863 0.70 MEN1 (0.39) NPC1RAB9ASMN1; SMN2FLT3ALDH1A1
SCHEMBL24934478 0.69

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-20080124732-A1 METHOD FOR OPTICAL MEASUREMENT OF MULTI-STRANDED NUCLEIC ACID FUJIFILM CORPORATION 2008-05-29 US disclosed
EP-1889880-A2 Method for optical measurement of multi-stranded nucleic acid FUJIFILM Corporation (JP) 2008-02-20 EP disclosed
EP-1362894-B1 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP disclosed