SCHEMBL6089585

SCHEMBL6089585

CC(C)OC1=NNC(=O)/C1=C\c1[nH]c2ccccc2c1CC(N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MPO P05164 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
ALDH1A1 P00352 3/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KDR P35968 1/20 0.31
HPGD P15428 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
SCHEMBL6089574 1.00 SCN9A (0.37) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6089482 0.89 EGFR (0.37) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6089485 0.89 EGFR (0.37) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6089077 0.86 SCN9A (0.37) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6089087 0.86 SCN9A (0.37) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6090458 0.81 ALDH1A1 (0.39) MAPTKDM4EMEN1LMNABLM
SCHEMBL6090463 0.81 ALDH1A1 (0.39) MAPTKDM4EMEN1LMNABLM
SCHEMBL6088290 0.81 EGFR (0.40) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6088286 0.81 EGFR (0.40) SCN9AMAPTKDM4EMEN1LMNA
SCHEMBL6087896 0.81 KDM4E (0.36) SCN9AMAPTKDM4EMEN1LMNA

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