SCHEMBL6089096

SCHEMBL6089096

CCOC(=O)c1c[nH]c(/C=C2/C(=O)NN=C2C2CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.33
PLAT P00750 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6089100 1.00 FDFT1 (0.33) FDFT1PLATALDH1A1HSD17B10MEN1
SCHEMBL6088546 0.84 ALDH1A1 (0.34) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6088550 0.84 ALDH1A1 (0.34) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6089458 0.81 JMJD6 (0.35) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6089465 0.81 JMJD6 (0.35) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6088378 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6088374 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6088079 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6088075 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL6091408 0.80 KDR (0.38) PLATALDH1A1HSD17B10MEN1KMT2A

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