SCHEMBL22649463

SCHEMBL22649463

C=C(C)C(F)(F)c1cc(C(=O)O)n(C(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.39
SORT1 Q99523 5/20 0.39
KDM4E B2RXH2 1/20 0.39
KLKB1 P03952 2/20 0.32
POLB P06746 2/20 0.32
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL22637645 0.82 KLKB1 (0.44) GRNSORT1KDM4EKLKB1POLB
SCHEMBL22649482 0.81 GRN (0.61) GRNSORT1KDM4EKLKB1POLB
SCHEMBL22437129 0.72 MEN1 (0.41) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL950617 0.71 KLKB1 (0.46) GRNSORT1KDM4EKLKB1POLB
SCHEMBL30961174 0.69 GRN (0.41) GRNSORT1KDM4EKLKB1POLB
SCHEMBL22637363 0.68 ALDH1A1 (0.39) GRNSORT1KDM4EALDH1A1GAA
SCHEMBL22649229 0.68 GRN (0.64) GRNSORT1KDM4EKLKB1POLB
SCHEMBL12559873 0.66 KLKB1 (0.41) GRNSORT1KDM4EKLKB1POLB
SCHEMBL22637750 0.65 HPGD (0.41) KDM4EPOLBALDH1A1GAA
Hydrochloric Acid SCHEMBL8932269 0.64 GRN (0.69) GRNSORT1KDM4EKLKB1POLB

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
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed