SCHEMBL22840596

SCHEMBL22840596

NCCN1CCCCOCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KEAP1 Q14145 1/20 0.59
ALOX15 P16050 1/20 0.50
GLA P06280 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.36
DUSP3 P51452 1/20 0.36
GAA P10253 1/20 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
SCHEMBL1685458 0.93 KEAP1 (0.61) SMN1; SMN2KEAP1ALOX15GLAKDM4E
SCHEMBL2244319 0.93 SMN1; SMN2 (0.61) SMN1; SMN2KEAP1ALOX15GLAKDM4E
SCHEMBL9444 0.89
Hydrochloric Acid SCHEMBL1168021 0.86 KEAP1 (0.70) SMN1; SMN2KEAP1ALOX15GLAKDM4E
SCHEMBL1307205 0.86 KEAP1 (0.70) SMN1; SMN2KEAP1ALOX15GLAKDM4E
Hydrochloric Acid SCHEMBL8859956 0.86 KEAP1 (0.70) SMN1; SMN2KEAP1ALOX15GLAKDM4E
SCHEMBL27350451 0.86 KEAP1 (0.70) SMN1; SMN2KEAP1ALOX15GLAKDM4E
SCHEMBL10917755 0.86 KEAP1 (0.70) SMN1; SMN2KEAP1ALOX15GLAKDM4E
Ammonia Solution, Strong SCHEMBL726007 0.86 KEAP1 (0.70) SMN1; SMN2KEAP1ALOX15GLAKDM4E
SCHEMBL13019 0.83 KDM4E (0.56) SMN1; SMN2KEAP1GLAKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed