SCHEMBL9550352

SCHEMBL9550352

N#CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
ALOX5 P09917 1/20 0.51
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL7080235 0.83 PTPRC (0.53) PTPRCS100A4ALOX5CA12CA9
SCHEMBL1704508 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL18702449 0.81 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL28061762 0.77 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL29945629 0.77 CASP1 (0.63) PTPRCS100A4ALOX5CA12CA9
SCHEMBL19674180 0.77 PTPRC (0.63) PTPRCS100A4ALOX5CA12CA9
SCHEMBL30781599 0.77 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL16702921 0.77 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL3202418 0.77 PTPRC (0.58) PTPRCS100A4ALOX5CA12CA9
SCHEMBL516995 0.77 CASP1 (0.63) PTPRCS100A4ALOX5CA12CA9

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
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP claimed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO claimed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed