SCHEMBL29009667

SCHEMBL29009667

CN(C(=O)c1ccc2c(c1)OCO2)c1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 2/20 0.51
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27594834 0.81 HPGD (0.65) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL8573730 0.77 HPGD (0.65) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL31151793 0.77 HPGD (0.65) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL29009650 0.76 PLAU (0.49) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL31276830 0.75 RAB9A (0.46) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12988856 0.73 GABRA1 (0.72) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL109220 0.73 HPGD (0.70) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL29009680 0.73 HPGD (0.50) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL30128152 0.72 HPGD (0.54) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL14309148 0.72 HPGD (0.58) HPGDRAB9ANPC1ALDH1A1GABRA1

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
CN-115010564-B Preparation method of o-iodophenyl compound 苏州大学 2024-03-19 CN disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed