SCHEMBL13310337

SCHEMBL13310337

CCNC(=NCCN=C(NCC)NCC)NCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4A O75164 1/20 0.33
HTT P42858 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL14373125 0.88 ALDH1A1 (0.35) ALDH1A1CYP3A4KDM4AHRH4GRIN2D
SCHEMBL11159471 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4KDM4AMMP1MMP2
SCHEMBL22808765 0.76 ADRA2A (0.31) ALDH1A1CYP3A4
SCHEMBL14422300 0.75 NOS1 (0.33) ALDH1A1CYP3A4
SCHEMBL13656928 0.75 NOS1 (0.33) ALDH1A1CYP3A4
SCHEMBL14377847 0.75 NOS1 (0.33) ALDH1A1CYP3A4
SCHEMBL20756146 0.73 ALDH1A1 (0.32) ALDH1A1CYP3A4HTTHRH4
SCHEMBL21284340 0.71 EPHX1 (0.32)
SCHEMBL22580245 0.71 NOS1 (0.31) ALDH1A1CYP3A4
SCHEMBL14204181 0.71

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
US-7741010-B2 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-7718343-B2 Decomposable resin composition and pattern-forming material including the same FUJIFILM CORPORATION (JP) 2010-05-18 US disclosed
US-20080268371-A1 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-7402374-B2 Method for colored image formation FUJIFILM CORPORATION (JP) 2008-07-22 US disclosed
US-7402374-B2 Method for colored image formation FUJIFILM CORPORATION (JP) 2008-07-22 US disclosed
US-20080070154-A1 DECOMPOSABLE RESIN COMPOSITION AND PATTERN-FORMING MATERIAL INCLUDING THE SAME FUJIFILM CORPORATION (JP) 2008-03-20 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed