SCHEMBL6090540

SCHEMBL6090540

CCOC(=O)c1c(C=C2C(=O)NN=C2CCc2ccc(O)cc2)[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.46
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
MAPK10 P53779 1/20 0.42
ABL1 P00519 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT3 P36888 1/20 0.41
ALK Q9UM73 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GABRP O00591 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
SCHEMBL6090533 1.00 ALOX5 (0.46) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6090981 0.94 ALOX5 (0.46) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6090979 0.94 ALOX5 (0.46) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6089845 0.92 HTR6 (0.41) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6089849 0.92 HTR6 (0.41) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6089001 0.81 ABL1 (0.45) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6089004 0.81 ABL1 (0.45) ALOX5ALDH1A1KDM4EMAPTLMNA
SCHEMBL6091976 0.80 JAK2 (0.38) ALOX5KDM4EMAPTMEN1KMT2A
SCHEMBL6091985 0.80 JAK2 (0.38) ALOX5KDM4EMAPTMEN1KMT2A
SCHEMBL7496610 0.80 PIK3CA (0.41) ALDH1A1KDM4EMAPTLMNAMEN1

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