SCHEMBL6089845

SCHEMBL6089845

CCOC(=O)c1c(/C=C2\C(=O)NN=C2CCc2ccc(N)cc2)[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
ABL1 P00519 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT3 P36888 1/20 0.40
ALK Q9UM73 1/20 0.40
ALOX5 P09917 4/20 0.39
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
NPC1 O15118 1/20 0.38
PDE5A O76074 1/20 0.38
GABRA1 P14867 1/20 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
SCHEMBL6089849 1.00 HTR6 (0.41) HTR6ABL1RETPDGFRBFGFR1
SCHEMBL6090979 0.93 ALOX5 (0.46) HTR6ABL1RETPDGFRBFGFR1
SCHEMBL6090981 0.93 ALOX5 (0.46) HTR6ABL1RETPDGFRBFGFR1
SCHEMBL6090540 0.92 ALOX5 (0.46) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090533 0.92 ALOX5 (0.46) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6088802 0.83 ABL1 (0.54) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089558 0.81 JAK2 (0.40) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089552 0.81 JAK2 (0.40) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089004 0.80 ABL1 (0.45) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089001 0.80 ABL1 (0.45) ABL1RETPDGFRBFGFR1FLT3

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