SCHEMBL3399123

SCHEMBL3399123

CCCCCOP(N)(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.58
LPAR2 Q9HBW0 6/20 0.58
LPAR1 Q92633 3/20 0.58
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CDC25A P30304 1/20 0.46
AGTR1 P30556 1/20 0.46
AKT1 P31749 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41

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
SCHEMBL10934826 0.98 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL10935523 0.98 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL10933039 0.98 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL11720155 0.92
SCHEMBL10934233 0.86 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL10934225 0.86 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL1194563 0.85 LPAR3 (0.58) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL9463219 0.83 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL21764574 0.83 CYP3A4 (0.58) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL17686773 0.83 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144516-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-06-10 US disclosed
EP-2142556-A1 PREPARATION AND USE OF MAGNESIUM AMIDES Ludwig-Maximilians-Universität München (DE) 2010-01-13 EP disclosed
WO-2008087057-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2008-07-24 WO disclosed
US-4517004-A Aryl phosphoric triamide and aryl phosphorodiamidate urease and nitrification inhibitors and urease and nitrification inhibited urea and reduced nitrogen based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 US disclosed
US-4517004-A Aryl phosphoric triamide and aryl phosphorodiamidate urease and nitrification inhibitors and urease and nitrification inhibited urea and reduced nitrogen based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 US disclosed