SCHEMBL25797250

SCHEMBL25797250

O=C(CCl)NCCOc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
JAK2 O60674 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
TSHR P16473 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20463424 0.83 MTNR1A (0.72) GAALMNAKMT2AHPGDHSD17B10
SCHEMBL25797688 0.80 LMNA (0.51) LMNAMEN1PKMKMT2AHPGD
SCHEMBL10568006 0.76 CA12 (0.55) GAAJAK2LMNAMAPTMEN1
SCHEMBL9152183 0.75 GAA (0.72) GAAJAK2LMNAMAPTHPGD
SCHEMBL2234017 0.75 GAA (0.72) GAAJAK2LMNAMAPTHPGD
SCHEMBL2637278 0.74 GAA (0.95) GAAJAK2LMNAMAPTHPGD
SCHEMBL32679977 0.74 GAA (0.64) GAAJAK2LMNAMAPTALDH1A1
SCHEMBL13715506 0.74 GAA (0.64) GAAJAK2LMNAMAPTALDH1A1
Methane SCHEMBL7356487 0.73 GAA (0.69) GAAJAK2LMNAMAPTHPGD
SCHEMBL5621969 0.72 GAA (0.82) GAAJAK2LMNAMAPTHPGD

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
WO-2023125751-A1 DIA-BASED QUANTITATIVE CHEMICAL PROTEOMICS TARGET SCREENING METHOD 北京大学 2023-07-06 WO disclosed