SCHEMBL25423925

SCHEMBL25423925

FC(F)(F)c1cc([Mg]Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
LOX P28300 1/20 0.46
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
NOTUM Q6P988 1/20 0.40
IDO1 P14902 1/20 0.40
AR P10275 1/20 0.36
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
KCNQ2 O43526 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MAP4K4 O95819 1/20 0.34
HDAC4 P56524 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
DDR1 Q08345 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
SCHEMBL3159925 0.72
SCHEMBL826349 0.72 LOXL2 (0.52) LOXL2LOXSMARCA2SMARCA4NOTUM
SCHEMBL19837363 0.72 ADRB1 (0.40) LOXL2LOX
Hydrochloric Acid SCHEMBL3745557 0.71 LOXL2 (0.53) LOXL2LOXSMARCA2SMARCA4NOTUM
SCHEMBL2642373 0.70 LOXL2 (0.53) LOXL2LOXSMARCA2SMARCA4NOTUM
SCHEMBL1643559 0.70 LOXL2 (0.53) LOXL2LOXSMARCA2SMARCA4NOTUM
SCHEMBL30328281 0.70 LOXL2 (0.53) LOXL2LOXSMARCA2SMARCA4NOTUM
SCHEMBL2327508 0.70 NOS3 (0.59) LOXL2LOXSMARCA2SMARCA4NOTUM
SCHEMBL21223940 0.69 TRPV4 (0.52) MAP4K4HDAC4TRPV4
SCHEMBL20308676 0.69 LOXL2 (0.48) LOXL2LOXSMARCA2SMARCA4NOTUM

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-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed