SCHEMBL25258964

SCHEMBL25258964

COc1cc(-c2nccc(C(=O)O)n2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.52
ALDH1A1 P00352 1/20 0.46
KMO O15229 2/20 0.44
GRK6 P43250 1/20 0.44
GRM4 Q14833 1/20 0.43
CFTR P13569 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL21681168 0.79 KDM4E (0.46) XDHKMOKDM4EL3MBTL1LMNA
SCHEMBL28448915 0.77 GRM4 (0.49) ALDH1A1KMOGRK6GRM4
SCHEMBL19876647 0.77 CLK4 (0.52) ALDH1A1GRM4PDGFRBPDGFRAKDM4E
SCHEMBL21271882 0.76 MAP4K1 (0.55) PDGFRB
SCHEMBL29572632 0.76 MAP4K1 (0.55) PDGFRB
SCHEMBL26058396 0.76 MAP4K1 (0.38) XDHALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL28988552 0.75 XDH (0.56) XDHKDM4EL3MBTL1RAB9A
SCHEMBL30459434 0.75 KMO (0.72) KMO
SCHEMBL24243059 0.75 KMO (0.72) KMO
SCHEMBL30103118 0.75 PHF8 (0.40) GRK6PDGFRBPDGFRA

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-4192819-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2023-06-14 EP disclosed