SCHEMBL28340296

SCHEMBL28340296

N#CCOc1c(C=O)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.35
PKM P14618 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL27295142 0.86 ERN1 (0.49) ERN1ALDH1A1HPGDRAB9ANPC1
SCHEMBL10458181 0.78 ERN1 (0.50) ERN1ALDH1A1HPGDRAB9ANPC1
SCHEMBL8581084 0.78 ERN1 (0.50) ERN1ALDH1A1HPGDRAB9ANPC1
SCHEMBL4164822 0.77 ERN1 (0.53) ERN1ALDH1A1RAB9ANPC1RECQL
SCHEMBL4164827 0.77 ERN1 (0.53) ERN1ALDH1A1RAB9ANPC1RECQL
SCHEMBL14228209 0.77 ERN1 (0.49) ERN1ALDH1A1HPGDRAB9ANPC1
SCHEMBL7811547 0.77 HTR1A (0.49) ERN1ALDH1A1HPGDRAB9ANPC1
SCHEMBL4585380 0.77 NPC1 (0.53) ERN1RAB9ANPC1RECQLMEN1
SCHEMBL30720039 0.76 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1RECQL
SCHEMBL16345906 0.76 ALDH1A1 (0.37) ERN1ALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 CN claimed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 CN claimed
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 CN disclosed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 CN disclosed