SCHEMBL22840652

SCHEMBL22840652

CNCCNC(=O)c1cccc(-c2nc3ccc(O)c(C=O)c3s2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 10/20 0.48
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 3/20 0.40
▸ APP P05067 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL23188312 0.79 APP (0.50) LMNAMAPTTP53APPRAB9A
SCHEMBL14924962 0.75 ERN1 (0.62) ERN1MAPT
SCHEMBL12674867 0.66 ERN1 (0.71) ERN1
SCHEMBL12767092 0.66 ERN1 (1.00) ERN1SMN1; SMN2
SCHEMBL6013714 0.65 MAPT (0.60) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL15985474 0.64 HDAC6 (0.55) LMNAMAPTTP53SMN1; SMN2
SCHEMBL14924961 0.64 ERN1 (0.51) ERN1MAPTTP53RAB9ASMN1; SMN2
SCHEMBL8325747 0.63 RAB9A (0.43) ERN1MAPTRAB9ASMN1; SMN2
SCHEMBL14538231 0.63 NPC1 (0.66) LMNARAB9ASMN1; SMN2
SCHEMBL29951315 0.63 ERN1 (0.66) ERN1SMN1; 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 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
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