SCHEMBL28639341

SCHEMBL28639341

COc1cc(Br)cc(Sc2cnc(COC(N)=O)s2)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.35
SELE P16581 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
LOXL3 P58215 1/20 0.34
NTRK1 P04629 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
SCHEMBL28660920 0.81 LOXL2 (0.42) LOXL2LOXL3
SCHEMBL19259684 0.80 LOXL2 (0.34) LOXL2LOXL3NTRK1
SCHEMBL19259726 0.80 LOXL2 (0.49) LOXL2LOXL3
SCHEMBL28639354 0.79 LOXL2 (0.51) LOXL2LOXL3
SCHEMBL28643913 0.78 LOXL2 (0.38) ICAM1SELELOXL2LOXL3NTRK1
SCHEMBL28660990 0.78 LOXL2 (0.51) LOXL2LOXL3NTRK1
SCHEMBL19259919 0.77 LOXL2 (0.52) LOXL2
SCHEMBL28643885 0.77 LOXL3 (0.36) ICAM1SELELOXL2LOXL3NTRK1
SCHEMBL28649575 0.76 PDPK1 (0.40)
SCHEMBL29970984 0.76 PDPK1 (0.40)

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-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed