SCHEMBL6089087

SCHEMBL6089087

NC(Cc1c(C=C2C(=O)NN=C2OC2CC2)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MPO P05164 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
EGFR P00533 2/20 0.35
SRC P12931 1/20 0.35
PARP1 P09874 1/20 0.31
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
ALPI P09923 1/20 0.30
PKM P14618 1/20 0.30
PTGS1 P23219 1/20 0.30
XIAP P98170 1/20 0.30

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
SCHEMBL6089077 1.00 SCN9A (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089482 0.88 EGFR (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089485 0.88 EGFR (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089585 0.86 SCN9A (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089574 0.86 SCN9A (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089497 0.85 KDM4E (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089502 0.85 KDM4E (0.37) SCN9AKDM4EMEN1LMNAMPO
SCHEMBL6089873 0.81 KDM4E (0.38) KDM4EMEN1LMNAMAPTBLM
SCHEMBL6089863 0.81 KDM4E (0.38) KDM4EMEN1LMNAMAPTBLM
SCHEMBL6088290 0.80 EGFR (0.40) SCN9AKDM4EMEN1LMNAMPO

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