SCHEMBL6089211

SCHEMBL6089211

COc1ccc2[nH]c(C=C3C(=O)NN=C3C3CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.42
AXL P30530 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
PDGFRB P09619 3/20 0.39
PDGFRA P16234 2/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
CA2 P00918 1/20 0.38
FLT3 P36888 3/20 0.37
KDR P35968 2/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL6089207 1.00 PRF1 (0.42) PRF1AXLKDM4EALDH1A1HSD17B10
SCHEMBL6089950 0.84 PRF1 (0.43) PRF1AXLKDM4EALDH1A1HSD17B10
SCHEMBL6089943 0.84 PRF1 (0.43) PRF1AXLKDM4EALDH1A1HSD17B10
SCHEMBL6089471 0.82 SIRT1 (0.50) PRF1MAOBMAPTMAPK1CYP1A2
SCHEMBL6089464 0.82 SIRT1 (0.50) PRF1MAOBMAPTMAPK1CYP1A2
SCHEMBL6091551 0.80 PRF1 (0.41) PRF1AXLKDM4EALDH1A1HSD17B10
SCHEMBL6091554 0.80 PRF1 (0.41) PRF1AXLKDM4EALDH1A1HSD17B10
SCHEMBL7492063 0.79 PIK3CA (0.44) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL6089367 0.78 PRF1 (0.44) PRF1AXLKDM4EALDH1A1HSD17B10
SCHEMBL6088702 0.78 PRF1 (0.44) PRF1AXLKDM4EALDH1A1HSD17B10

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