SCHEMBL84290

SCHEMBL84290

Cc1ccc2c(c1)C(=O)N(CN1C(=O)c3ccc(C#Cc4ccccc4)cc3C1=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.55
CHRM2 P08172 2/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP3 P08254 1/20 0.45
MMP13 P45452 1/20 0.45
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL14326160 0.91 GRM5 (0.63) GRM5MMP2MMP9HPGDMAPT
SCHEMBL84480 0.84 GRM5 (0.56) GRM5MMP2MMP9ALDH1A1LMNA
SCHEMBL84238 0.83 GRM5 (0.58) GRM5MMP2MMP9HPGD
SCHEMBL504644 0.82 GRM5 (0.60) GRM5MMP2MMP9ALDH1A1
SCHEMBL13903462 0.82 CHRM2 (0.57) CHRM2
SCHEMBL20716046 0.80 ALDH1A1 (0.55) GRM5HPGDALDH1A1
SCHEMBL23425551 0.78 GRM5 (0.62) GRM5MMP13HPGDNPSR1ALDH1A1
SCHEMBL16927148 0.78 GRM5 (0.66) GRM5CHRM2MAPT
SCHEMBL83864 0.77 GRM5 (0.60) GRM5ALDH1A1MAPT
SCHEMBL10000450 0.77 MAPK1 (0.53) GRM5HPGDALDH1A1

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