SCHEMBL6089502

SCHEMBL6089502

NC(Cc1c(C=C2C(=O)NN=C2C2CC2)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
EGFR P00533 2/20 0.36
SRC P12931 1/20 0.36
SCN9A Q15858 1/20 0.36
PARP1 P09874 1/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL6089497 1.00 KDM4E (0.37) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6089087 0.85 SCN9A (0.37) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6089077 0.85 SCN9A (0.37) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6088286 0.82 EGFR (0.40) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6088290 0.82 EGFR (0.40) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6087896 0.81 KDM4E (0.36) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6087905 0.81 KDM4E (0.36) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6089574 0.80 SCN9A (0.37) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6089482 0.80 EGFR (0.37) KDM4EMEN1LMNAMPOMAPT
SCHEMBL6089485 0.80 EGFR (0.37) KDM4EMEN1LMNAMPOMAPT

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