SCHEMBL84480

SCHEMBL84480

CCc1ccc2c(c1)C(=O)N(CN1C(=O)c3ccc(C#Cc4ccccc4)cc3C1=O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.56
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RPS6KA2 Q15349 1/20 0.41
FFAR1 O14842 1/20 0.38

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
SCHEMBL84238 0.89 GRM5 (0.58) GRM5MMP2MMP9FFAR1
SCHEMBL14326160 0.89 GRM5 (0.63) GRM5MMP2MMP9MAPTRAB9A
SCHEMBL84290 0.84 GRM5 (0.55) GRM5MMP2MMP9ALDH1A1LMNA
SCHEMBL504644 0.83 GRM5 (0.60) GRM5MMP2MMP9ALDH1A1RAB9A
SCHEMBL23425551 0.79 GRM5 (0.62) GRM5ALDH1A1LMNAMAPT
SCHEMBL16927148 0.76 GRM5 (0.66) GRM5MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL83864 0.75 GRM5 (0.60) GRM5ALDH1A1MAPTL3MBTL1
SCHEMBL10000438 0.75 GRM5 (0.52) GRM5MMP2MMP9NPC1ALDH1A1
SCHEMBL26310462 0.75 GRM5 (0.54) GRM5MMP2MMP9NPC1ALDH1A1
SCHEMBL17714975 0.73 POLB (0.57) NPC1ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8792318-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-29 US disclosed
US-8369204-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-02-05 US disclosed
US-20120155242-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-21 US disclosed
US-8129496-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-06 US disclosed
US-20120034383-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed
US-8102753-B2 Method for forming deformed regions in a resin layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-01-24 US disclosed