SCHEMBL12301293

SCHEMBL12301293

CN/N=C(\C(C)=O)C(=O)NC(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 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
SCHEMBL12658785 0.84 TSHR (0.33) TSHR
SCHEMBL12393172 0.78
SCHEMBL7784130 0.77 TSHR (0.35) CA2TSHRALDH1A1
SCHEMBL8300125 0.71
SCHEMBL3073891 0.68 CA12 (0.48) CA12CA1CA2MMP1MMP2
SCHEMBL4542341 0.66
SCHEMBL10076581 0.64 ALDH1A1 (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL14951 0.62
SCHEMBL4433675 0.62 ALDH1A1 (0.39) CA12CA1CA2MMP1MMP2
SCHEMBL20087845 0.62 CA12 (0.39) CA12CA1CA2MMP1MMP2

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-8461351-B2 Sterically bulky stabilizers XEROX CORPORATION (US) 2013-06-11 US disclosed
US-8025723-B2 Nonpolar liquid and solid phase change ink compositions comprising nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-09-27 US disclosed
US-7938903-B2 Nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-05-10 US disclosed
US-7883574-B2 Methods of making nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-02-08 US disclosed
US-20100300326-A1 NONPOLAR LIQUID AND SOLID PHASE CHANGE INK COMPOSITIONS COMPRISING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-12-02 US disclosed
US-20100035172-A1 NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-02-11 US disclosed
US-20100004360-A1 METHODS OF MAKING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-01-07 US disclosed