SCHEMBL9550308

SCHEMBL9550308

N#CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.53
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.49
PTPRC P08575 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL7079743 0.86 S100A4 (0.54) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL28322162 0.79 S100A4 (0.58) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL2283285 0.77 S100A4 (0.59) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL516272 0.76 LMNA (0.58) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL3283681 0.76 KMT2A (0.60) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL30708932 0.76 LMNA (0.58) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL9503453 0.76 S100A4 (0.58) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL13495395 0.75 LMNA (0.55) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL16863041 0.75 KDM4E (0.58) S100A4LMNAKDM4EPTPRCCYP1A2
SCHEMBL11053825 0.74 S100A4 (0.56) S100A4LMNAKDM4EPTPRCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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