SCHEMBL6091249

SCHEMBL6091249

CCOC1=NNC(=O)/C1=C/c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.36
MAPT P10636 9/20 0.36
MEN1 O00255 7/20 0.36
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 5/20 0.34
MITF O75030 1/20 0.34
RECQL P46063 1/20 0.34
PTK2B Q14289 1/20 0.34
GLA P06280 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GSK3B P49841 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDGFRB P09619 1/20 0.32
JAK3 P52333 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL6091253 1.00 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL6090542 0.78 KMT2A (0.33) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL6090278 0.73 PDPK1 (0.45) MAPTALDH1A1L3MBTL1SMN1; SMN2PDGFRB
SCHEMBL6089350 0.69 KMT2A (0.33) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL6090075 0.68 SIRT1 (0.46) MAPTALDH1A1KDM4EPDGFRBNPSR1
SCHEMBL6091918 0.67 POLB (0.33) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL6091916 0.67 POLB (0.33) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL5728101 0.66 MAPT (0.64) KMT2AMAPTMEN1PTK2BGSK3B
SCHEMBL5728098 0.66 MAPT (0.64) KMT2AMAPTMEN1PTK2BGSK3B
SCHEMBL6089750 0.66 NTRK1 (0.51) KMT2AMAPTMEN1ALDH1A1POLB

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-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed