SCHEMBL16727751

SCHEMBL16727751

CC(=O)NC(Cc1cn(C(C)=O)cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 13/20 0.48
CPB1 P15086 5/20 0.46
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SCN9A Q15858 2/20 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
SCHEMBL22392864 0.85 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL636655 0.85 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL749157 0.85 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL17044394 0.85 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL8896989 0.84 CPB2 (0.48) CPB2CPB1ITGB3ITGA2B
SCHEMBL9110288 0.84 CPB2 (0.48) CPB2CPB1ITGB3ITGA2B
SCHEMBL13342300 0.84 SCN9A (0.48) CPB2CPB1ITGB3ITGA2BKDM4E
SCHEMBL17508083 0.84 SCN9A (0.48) CPB2CPB1ITGB3ITGA2BKDM4E
SCHEMBL11134394 0.83 CPB2 (0.45) CPB2CPB1ITGB3ITGA2BKDM4E
SCHEMBL7001068 0.80 SLC7A5 (0.44) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9558862-B2 Conductive polymer composition, coated article having antistatic film formed from the composition, and patterning process using the composition SHIN-ETSU POLYMER CO., LTD. (JP) 2017-01-31 US disclosed
US-9558862-B2 Conductive polymer composition, coated article having antistatic film formed from the composition, and patterning process using the composition SHIN-ETSU POLYMER CO., LTD. (JP) 2017-01-31 US disclosed
US-20150140492-A1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE HAVING ANTISTATIC FILM FORMED FROM THE COMPOSITION, AND PATTERNING PROCESS USING THE COMPOSITION SHIN-ETSU POLYMER CO., LTD. (JP) 2015-05-21 US disclosed
US-20150140492-A1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE HAVING ANTISTATIC FILM FORMED FROM THE COMPOSITION, AND PATTERNING PROCESS USING THE COMPOSITION SHIN-ETSU POLYMER CO., LTD. (JP) 2015-05-21 US disclosed