Sugi Predict

Sugi Predict / Compounds / SCHEMBL17159666

SCHEMBL17159666

SCHEMBL17159666

COc1nn(C)c(=O)n1-c1ccccc1CON

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD9 Q9H8M2 2/20 0.33

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
Hydrochloric Acid SCHEMBL8153911 0.99 IDO1 (0.44) IDO1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL6075631 0.83 SMN1; SMN2 (0.35) SMN1; SMN2NPC1PKMRAB9AL3MBTL1
SCHEMBL8155286 0.80 NPC1 (0.44) NPC1RAB9A
SCHEMBL8302766 0.78 SMN1; SMN2 (0.35) SMN1; SMN2NPC1PKMRAB9AL3MBTL1
SCHEMBL8002388 0.77 RXFP1 (0.42) SMN1; SMN2NPC1L3MBTL1BRD9
SCHEMBL8483512 0.76 KDM4E (0.45) SMN1; SMN2BRD9
SCHEMBL6977197 0.73 ALDH1A1 (0.40) SMN1; SMN2BRD9
SCHEMBL8147679 0.73 TDP1 (0.37) SMN1; SMN2
SCHEMBL8147682 0.73 TDP1 (0.37) SMN1; SMN2
SCHEMBL8147684 0.73 RHOC (0.36) SMN1; SMN2

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-20150289514-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF THE RESPIRATORY CHAIN AT COMPLEX III BAYER CROPSCIENCE AG (DE) 2015-10-15 — — US claimed