SCHEMBL6090811

SCHEMBL6090811

CCOC1=NNC(=O)C1=Cc1[nH]c(C)c(CN2CCOCC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CHEK1 O14757 3/20 0.41
KDR P35968 5/20 0.37
HSD17B10 Q99714 3/20 0.37
FGFR1 P11362 4/20 0.35
PDGFRB P09619 3/20 0.35
LCK P06239 2/20 0.34
FYN P06241 2/20 0.34
YES1 P07947 2/20 0.34
SRC P12931 2/20 0.34
MET P08581 2/20 0.34
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 2/20 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
SCHEMBL6090807 1.00 KDM4E (0.43) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6089313 0.87 CHEK1 (0.41) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6089318 0.87 CHEK1 (0.41) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6089732 0.81 SRC (0.53) KDM4EALDH1A1KDRHSD17B10FGFR1
SCHEMBL6089741 0.81 SRC (0.53) KDM4EALDH1A1KDRHSD17B10FGFR1
SCHEMBL6091725 0.81 CHEK1 (0.42) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6091728 0.81 CHEK1 (0.42) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6088946 0.80 KDR (0.44) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6088933 0.80 KDR (0.44) KDM4EALDH1A1CHEK1KDRHSD17B10
SCHEMBL6091989 0.79 CHEK1 (0.47) KDM4EALDH1A1CHEK1KDRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed