SCHEMBL8103652

SCHEMBL8103652

COc1nn(C)c(=O)n1-c1ccsc1CO

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
BRD9 Q9H8M2 2/20 0.33
IDO1 P14902 1/20 0.32
KEAP1 Q14145 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
SCHEMBL8090469 0.86 SMN1; SMN2 (0.34) SMN1; SMN2BRD9KEAP1
SCHEMBL8106915 0.77 HTT (0.50) SMN1; SMN2
SCHEMBL8106692 0.72 PPARG (0.30)
SCHEMBL8106696 0.72 PPARG (0.30)
SCHEMBL8091728 0.71 SMN1; SMN2 (0.32) SMN1; SMN2BRD9IDO1
SCHEMBL8098283 0.71 KMT2A (0.36) SMN1; SMN2
SCHEMBL8106016 0.71 ALDH1A1 (0.32) SMN1; SMN2
SCHEMBL8483512 0.70 KDM4E (0.45) SMN1; SMN2BRD9
SCHEMBL8104222 0.69 AXL (0.34) SMN1; SMN2
SCHEMBL8100340 0.69 PPARD (0.34)

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
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US disclosed