SCHEMBL28660920

SCHEMBL28660920

COc1cc(Sc2cnc(COC(N)=O)s2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
BRD4 O60885 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK10 P53779 1/20 0.36
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 0.36
TUBA1C Q9BQE3 3/20 0.36
TUBB6 Q9BUF5 3/20 0.36
TUBB2B Q9BVA1 3/20 0.36
TUBB1 Q9H4B7 3/20 0.36

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
SCHEMBL28643913 0.81 LOXL2 (0.38) LOXL2LOXL3LMNA
SCHEMBL28639341 0.81 ICAM1 (0.35) LOXL2LOXL3
SCHEMBL28643885 0.79 LOXL3 (0.36) LOXL2SMN1; SMN2LOXL3LMNAALDH1A1
SCHEMBL19259744 0.79 SMN1; SMN2 (0.41) LOXL2SMN1; SMN2BRD4ALOX12MAPK10
SCHEMBL28644238 0.78 LOXL2 (0.41) LOXL2SMN1; SMN2LOXL3LMNAALDH1A1
SCHEMBL28651596 0.76 ALDH1A1 (0.42) LOXL2SMN1; SMN2LOXL3LMNAMAPT
SCHEMBL28663602 0.76 SIRT2 (0.44) LOXL2SMN1; SMN2LOXL3LMNAMAPT
SCHEMBL19259897 0.76 LOXL2 (0.51) LOXL2TXKJAK3BTK
SCHEMBL28645865 0.75 LOXL2 (0.40) LOXL2SMN1; SMN2LOXL3LMNA
SCHEMBL19274587 0.75 PDPK1 (0.41) LOXL2SMN1; SMN2ALOX12MAPK10LMNA

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