SCHEMBL6360912

SCHEMBL6360912

O=C(O)C(=O)N(O)Cc1ccccc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.55
RIPK1 Q13546 1/20 0.53
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.43

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
SCHEMBL3279004 0.84 ALOX5 (0.60) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL4445336 0.82 ALOX5 (0.50) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL11127626 0.80 ALOX5 (0.56) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL28812362 0.80 LMNA (0.57) NPC1RAB9ACA12CA9LMNA
SCHEMBL6360909 0.79 ALOX5 (0.51) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL23805084 0.78 ALOX5 (0.55) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL6037547 0.78 ALOX5 (0.56) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL1436622 0.78 ALOX5 (0.70) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL628573 0.78 RIPK1 (0.53) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL7646415 0.77 HSD11B1 (0.54) ALOX5RIPK1LMNATSHR

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-20050014647-A1 Method and composition for determining resistance to an acetohydroxy-acid synthase inhibitor BASF AKTIENGESELLSCHAFT (DE) 2005-01-20 US claimed
US-20050014647-A1 Method and composition for determining resistance to an acetohydroxy-acid synthase inhibitor BASF AKTIENGESELLSCHAFT (DE) 2005-01-20 US disclosed
EP-1417331-A2 IMPROVED METHOD AND COMPOSITION FOR DETERMINING RESISTANCE TO AN ACETOHYDROXYACID SYNTHASE INHIBITOR BASF AKTIENGESELLSCHAFT (DE) 2004-05-12 EP disclosed
WO-2003014379-A2 IMPROVED METHOD AND COMPOSITION FOR DETERMINING RESISTANCE TO AN ACETOHYDROXYACID SYNTHASE INHIBITOR BASF AKTIENGESELLSCHAFT (DE) 2003-02-20 WO disclosed