SCHEMBL9749122

SCHEMBL9749122

CCCCN1C(=O)C(=[N+]=[N-])C(=O)N(CCCCCCCCCCCCN2C(=O)C(=[N+]=[N-])C(=O)N(CCCC)C2=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
MGLL Q99685 3/20 0.44
FAAH O00519 1/20 0.44
CDC25A P30304 4/20 0.38
CES1 P23141 2/20 0.38
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
GBA1 P04062 1/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL9748725 0.76 ALDH1A1 (0.39) TP53ALDH1A1
SCHEMBL17999908 0.75 MGLL (0.64) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13966396 0.75 MGLL (0.64) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13681576 0.75 MGLL (0.64) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL7153652 0.73 MGLL (0.60) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL9749387 0.72 LMNA (0.39) TP53EPHX2ALDH1A1
SCHEMBL18867006 0.70 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL19069240 0.70 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL18431725 0.70 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13464705 0.70 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346339-B1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1992-09-09 EP claimed
US-4902784-A 1,3 Disubstituted-5-diazobarbituric acids HOECHST CELANESE CORPORATION (US) 1990-02-20 US claimed
EP-0346339-A1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION. HOECHST CELANESE CORP (US) 1989-12-20 EP claimed
WO-1989005800-A1 NOVEL BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1989-06-29 WO claimed
US-4735885-A Deep UV photoresist composition with 1,3-disubstituted-5-diazobarbituric acids ALLIED CORPORATION (US) 1988-04-05 US claimed
EP-0346339-B1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1992-09-09 EP disclosed
US-4902784-A 1,3 Disubstituted-5-diazobarbituric acids HOECHST CELANESE CORPORATION (US) 1990-02-20 US disclosed
EP-0346339-A1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION. HOECHST CELANESE CORP (US) 1989-12-20 EP disclosed
WO-1989005800-A1 NOVEL BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1989-06-29 WO disclosed
US-4735885-A Deep UV photoresist composition with 1,3-disubstituted-5-diazobarbituric acids ALLIED CORPORATION (US) 1988-04-05 US disclosed