SCHEMBL6089065

SCHEMBL6089065

CC(C1=NNC(=O)/C1=C/c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.49
JAK3 P52333 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
LMNA P02545 1/20 0.40
MMP2 P08253 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
PDPK1 O15530 5/20 0.38
KDR P35968 4/20 0.38
TLK2 Q86UE8 4/20 0.38

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
SCHEMBL6088057 0.86 PDPK1 (0.45) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6091444 0.86 TLK2 (0.46) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6090438 0.85 KDR (0.44) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6089523 0.85 PDGFRB (0.47) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6091693 0.83 TLK2 (0.48) PDGFRBJAK3ALDH1A1PDPK1KDR
SCHEMBL6089310 0.79 KAT8 (0.48) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6089305 0.79 KAT8 (0.48) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6088474 0.78 RET (0.53) PDGFRBSMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL6089068 0.76 PDGFRB (0.49) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6091915 0.70 PDPK1 (0.54) PDGFRBJAK3SMN1; SMN2L3MBTL1ALDH1A1

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