SCHEMBL13327264

SCHEMBL13327264

c1cc(C2=NCCCN2)ccc1C1=NCCCN1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.81
GAA P10253 1/20 0.80
TSHR P16473 1/20 0.80
TOP2A P11388 5/20 0.75
TOP2B Q02880 5/20 0.75
LMNA P02545 1/20 0.59
RECQL P46063 1/20 0.59
HTR1D P28221 1/20 0.55
ADRA1A P35348 1/20 0.55

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
SCHEMBL2513540 0.90 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL31249900 0.90 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4035055 0.90 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL11462790 0.90 NISCH (1.00) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4035056 0.90 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6365864 0.89 NISCH (1.00) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL9828172 0.88 NISCH (0.66) NISCHGAATSHRTOP2ATOP2B
SCHEMBL533671 0.87 NISCH (0.69) NISCHGAATSHRTOP2ATOP2B
SCHEMBL7724230 0.87 TOP2A (1.00) NISCHGAATSHRTOP2ATOP2B
SCHEMBL5476725 0.85 NISCH (0.79) NISCHTOP2ATOP2BLMNARECQL

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-7718343-B2 Decomposable resin composition and pattern-forming material including the same FUJIFILM CORPORATION (JP) 2010-05-18 US disclosed
US-7439011-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-10-21 US disclosed
US-7419774-B2 Photothermographic material and method for processing the same FUJILFILM CORPORATION (JP) 2008-09-02 US disclosed
US-20080070154-A1 DECOMPOSABLE RESIN COMPOSITION AND PATTERN-FORMING MATERIAL INCLUDING THE SAME FUJIFILM CORPORATION (JP) 2008-03-20 US disclosed
US-7223528-B2 Photothermographic material and image forming method FUJIFILM CORPORATION (JP) 2007-05-29 US disclosed
US-20070003887-A1 Photothermographic material RIKIO INOUE 2007-01-04 US disclosed
US-20070003887-A1 Photothermographic material RIKIO INOUE 2007-01-04 US disclosed