SCHEMBL6088846

SCHEMBL6088846

NC(Cc1c(/C=C2\C(=O)NN=C2CCc2ccc(O)cc2)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
EGFR P00533 2/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN9A Q15858 1/20 0.34
MET P08581 1/20 0.33
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33

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
SCHEMBL6088856 1.00 SLC7A5 (0.38) SLC7A5ESR1ESR2EGFRSRC
SCHEMBL6088286 0.94 EGFR (0.40) SLC7A5ESR1ESR2EGFRSRC
SCHEMBL6088290 0.94 EGFR (0.40) SLC7A5ESR1ESR2EGFRSRC
SCHEMBL6089496 0.93 EGFR (0.36) SLC7A5EGFRSRCKDM4EMEN1
SCHEMBL6089510 0.93 EGFR (0.36) SLC7A5EGFRSRCKDM4EMEN1
SCHEMBL7489562 0.82 KDM4E (0.36) ESR1ESR2EGFRSRCKDM4E
SCHEMBL7491152 0.81 ESR1 (0.38) ESR1ESR2EGFRSRCKDM4E
SCHEMBL6090680 0.81 ESR1 (0.41) ESR1ESR2EGFRSRCKDM4E
SCHEMBL6090674 0.81 ESR1 (0.41) ESR1ESR2EGFRSRCKDM4E
SCHEMBL6089497 0.79 KDM4E (0.37) SLC7A5EGFRSRCKDM4EMEN1

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