SCHEMBL12425014

SCHEMBL12425014

O=C1NC(c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)=C2C(=O)NC(c3ccccc3)=C12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
NR1H2 P55055 1/20 0.39
GSK3B P49841 8/20 0.39
STK10 O94804 1/20 0.37
SLK Q9H2G2 1/20 0.37
TYMP P19971 1/20 0.36
MAOA P21397 1/20 0.36
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ADK P55263 1/20 0.33

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
SCHEMBL278635 0.84 GSK3B (0.48) PTGS2GSK3BMAOAHTTLMNA
SCHEMBL12425016 0.83 PTGS2 (0.44) PTGS2GSK3BLMNA
SCHEMBL1557806 0.81 GSK3B (0.54) PTGS2GSK3BLMNAMAPT
SCHEMBL12425013 0.81 STK10 (0.41) PTGS2STK10SLKLMNAMAPT
SCHEMBL12509632 0.81 PTGS2 (0.33) PTGS2GSK3BSTK10SLKMAOA
SCHEMBL7754290 0.81 PTGS2 (0.48) PTGS2GSK3BSTK10SLKMAOA
SCHEMBL91967 0.81 PTGS2 (0.48) PTGS2GSK3BSTK10SLKMAOA
SCHEMBL92072 0.80 CYP1A2 (0.56) PTGS2GSK3BLMNAMAPT
SCHEMBL12425027 0.79 EGFR (0.39) PTGS2MAPT
SCHEMBL12509639 0.79 PTGS2 (0.41) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed