SCHEMBL21078949

SCHEMBL21078949

Cc1cc(C(=O)O)ncc1OCCF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 4/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 1/20 0.40
TSHR P16473 2/20 0.39
PDE10A Q9Y233 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P4HTM Q9NXG6 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 1/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL21078911 0.84 KDM4E (0.37) MAPTKDM4EASPHKDM8TSHR
SCHEMBL15350374 0.84 ASPH (0.41) KDM4EASPHKDM8TSHRP4HTM
SCHEMBL15350397 0.81 KDM4E (0.40) MAPTKDM4EASPHKDM8TSHR
SCHEMBL15350001 0.80 ASPH (0.46) KDM4EASPHKDM8L3MBTL1CNR2
SCHEMBL15350838 0.79 ASPH (0.42) KDM4EASPHKDM8L3MBTL1MAPK1
SCHEMBL31032278 0.76 KDM4E (0.41) KDM4EASPHKDM8P4HTML3MBTL1
SCHEMBL29272155 0.76 KDM4E (0.41) KDM4EASPHKDM8P4HTML3MBTL1
SCHEMBL15351261 0.76 KMO (0.48) CNR2
SCHEMBL15349985 0.76 KMT2A (0.40) MAPTKDM4EASPHKDM8L3MBTL1
SCHEMBL15350118 0.76 FFAR4 (0.51) MAPTP4HTMMRGPRX4MEN1LMNA

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
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed