SCHEMBL6091559

SCHEMBL6091559

CCOC(=O)c1c[nH]c(/C=C2/C(=O)NN=C2c2ncc[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
IMPDH2 P12268 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDR P35968 3/20 0.31
NUDT1 P36639 1/20 0.31
TLK2 Q86UE8 1/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6091564 1.00 JMJD6 (0.34) JMJD6KDM4EALDH1A1PKN1PKN2
SCHEMBL6090289 0.82 KDR (0.52) JMJD6ALDH1A1IMPDH2KDRHPGD
SCHEMBL6090275 0.82 KDR (0.52) JMJD6ALDH1A1IMPDH2KDRHPGD
SCHEMBL6089465 0.81 JMJD6 (0.35) JMJD6KDM4EALDH1A1IMPDH2KDR
SCHEMBL6089458 0.81 JMJD6 (0.35) JMJD6KDM4EALDH1A1IMPDH2KDR
SCHEMBL6090504 0.80 ALK (0.41) KDM4EALDH1A1IMPDH2KDRHPGD
SCHEMBL6090494 0.80 ALK (0.41) KDM4EALDH1A1IMPDH2KDRHPGD
SCHEMBL6091158 0.78 KMT2A (0.43) KDM4EALDH1A1TP53HPGDKMT2A
SCHEMBL6090556 0.78 ADORA2B (0.43) KDM4EALDH1A1TP53HPGDKMT2A
SCHEMBL6090551 0.78 ADORA2B (0.43) KDM4EALDH1A1TP53HPGDKMT2A

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