SCHEMBL6089996

SCHEMBL6089996

CCOC(=O)c1c(/C=C2\C(=O)NN=C2OC(C)C)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT3 P36888 1/20 0.43
ALK Q9UM73 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HCRTR1 O43613 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL6089999 1.00 ALOX5 (0.47) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6089001 0.89 ABL1 (0.45) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6089004 0.89 ABL1 (0.45) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6088712 0.86 ABL1 (0.43) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6088720 0.86 ABL1 (0.43) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6090222 0.82 KDR (0.37) ALDH1A1KDM4EMAPTRAB9ANPSR1
SCHEMBL6090224 0.82 KDR (0.37) ALDH1A1KDM4EMAPTRAB9ANPSR1
SCHEMBL6090979 0.81 ALOX5 (0.46) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6090402 0.81 ABL1 (0.43) ALOX5ALDH1A1MEN1KMT2AABL1
SCHEMBL6090981 0.81 ALOX5 (0.46) ALOX5ALDH1A1MEN1KMT2AABL1

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