SCHEMBL29272155

SCHEMBL29272155

Cc1cc(C(=O)O)ncc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ASPH Q12797 2/20 0.41
KDM8 Q8N371 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P4HTM Q9NXG6 2/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
PDE4A P27815 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GPR35 Q9HC97 1/20 0.36
KMO O15229 1/20 0.35

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
SCHEMBL31032278 1.00 KDM4E (0.41) KDM4EASPHKDM8GAAMAPK1
SCHEMBL11894710 0.85 KMO (0.46) KDM4EASPHKDM8MAPK1L3MBTL1
SCHEMBL15350397 0.83 KDM4E (0.40) KDM4EASPHKDM8MAPK1L3MBTL1
SCHEMBL30546897 0.79 KDM4E (0.45) KDM4EASPHKDM8MAPK1L3MBTL1
SCHEMBL15349985 0.77 KMT2A (0.40) KDM4EASPHKDM8MAPK1L3MBTL1
SCHEMBL21078949 0.76 MAPT (0.42) KDM4EASPHKDM8MAPK1L3MBTL1
SCHEMBL18017222 0.75 UHRF1 (0.42) GAAALDH1A1
SCHEMBL15350001 0.75 ASPH (0.46) KDM4EASPHKDM8L3MBTL1ALDH1A1
SCHEMBL71437 0.75 PDE4A (0.48) PDE4AKMO
SCHEMBL7083217 0.74 KDM4E (0.50) KDM4EASPHKDM8MAPK1L3MBTL1

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
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed