SCHEMBL4011227

SCHEMBL4011227

Cc1ccc2cc1-2.N=C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.37
RARA P10276 1/20 0.37
GRIA1 P42261 2/20 0.37
GRIK1 P39086 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
MCL1 Q07820 1/20 0.34
MAPK14 Q16539 4/20 0.33
ABL1 P00519 3/20 0.33
PTGS2 P35354 2/20 0.33
S1PR4 O95977 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32

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
Phosphine SCHEMBL29266084 0.82
Iodide SCHEMBL27841836 0.82
Ammonia Solution, Strong SCHEMBL4591355 0.82
SCHEMBL28685012 0.81 ESR2 (0.44) MCL1PTGS2CYP3A4ESR1ESR2
SCHEMBL27898433 0.78 MCL1 (0.47) MCL1PTGS2PTGS1CYP3A4LMNA
SCHEMBL27718887 0.76 RXRA (0.41) RXRARARAGRIA1GRIK1GRIA2
SCHEMBL5214499 0.75 RXRA (0.39) RXRARARAGRIA1GRIK1GRIA2
SCHEMBL3128356 0.71 ALDH1A1 (0.31)
SCHEMBL6853752 0.71
Toluene SCHEMBL7271060 0.71 ACHE (0.52) RXRARARAGRIA1GRIK1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113851656-B Negative electrode piece and lithium ion battery comprising same 珠海冠宇电池股份有限公司 2023-08-15 CN disclosed
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 WO disclosed