SCHEMBL29914686

SCHEMBL29914686

O=C(CCl)Nc1cc(O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 8/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 2/20 0.45
MITF O75030 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.44
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 1/20 0.41
STAT3 P40763 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3755148 1.00 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL2748272 0.85 ALDH1A1 (0.53) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL30612630 0.84 POLB (0.75) POLBMAPK1MEN1KMT2AALOX15
SCHEMBL21409465 0.84 MITF (0.51) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL247350 0.84 POLB (0.75) POLBMAPK1MEN1KMT2AALOX15
SCHEMBL18196942 0.83 POLB (0.50) POLBHTTMAPK1NPC1MEN1
SCHEMBL22042930 0.82 POLB (0.50) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL7269751 0.82 HTT (0.68) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL30612623 0.82 POLB (0.50) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL16858580 0.82 POLB (0.50) POLBALDH1A1HTTSMN1; SMN2RAB9A

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
CN-115279423-A Oxazine-based fluorophore compounds for neurospecific imaging 俄勒冈健康与科学大学 2022-11-01 CN disclosed