SCHEMBL28458166

SCHEMBL28458166

FC(F)(F)c1cnccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
AOC1 P19801 5/20 0.35
AOC3 Q16853 5/20 0.35
TRPV1 Q8NER1 1/20 0.34
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIEZO1 Q92508 1/20 0.33
LATS1 O95835 1/20 0.33
IDO1 P14902 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
FAAH O00519 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
SCHEMBL844759 0.88 GRIN1 (0.37) LOXL2TRPV1KIF11ALDH1A1GRIN1
SCHEMBL17318488 0.82 SCN9A (0.40) LOXL2AOC1AOC3TRPV1KIF11
SCHEMBL805511 0.80 ALDH1A1 (0.45) LOXL2AOC1AOC3ALDH1A1LATS1
SCHEMBL25688536 0.80 LOXL2 (0.38) LOXL2AOC1AOC3TRPV1KIF11
SCHEMBL18986509 0.80 LOXL2 (0.57) LOXL2AOC1AOC3
SCHEMBL21503641 0.79 PDE3B (0.39) LOXL2AOC1AOC3ALDH1A1LATS1
SCHEMBL21503642 0.77 CYP2E1 (0.44) LOXL2AOC1AOC3ALDH1A1LATS1
SCHEMBL17981893 0.77 LOXL2 (0.48) LOXL2AOC1AOC3
SCHEMBL25673690 0.76 RXRA (0.40) LOXL2AOC1AOC3ALDH1A1SLC22A12
SCHEMBL24973994 0.75 ALDH1A1 (0.34) LOXL2AOC1AOC3ALDH1A1LATS1

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-111615513-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-01 CN disclosed