SCHEMBL29265409

SCHEMBL29265409

OCCOCCOc1ccc(N=Nc2ccc3ncsc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
APP P05067 6/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 3/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL30954747 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBSMN1; SMN2HPGD
SCHEMBL30954752 0.81 MAPT (0.49) ALDH1A1L3MBTL1POLBSMN1; SMN2HPGD
SCHEMBL30954750 0.81 APP (0.46) ALDH1A1L3MBTL1POLBSMN1; SMN2APP
SCHEMBL31314979 0.78 ALDH1A1 (0.58) ALDH1A1L3MBTL1POLBSMN1; SMN2HPGD
SCHEMBL29265405 0.77 MAPT (0.47) L3MBTL1APPMAPTTDP1PKM
SCHEMBL29265296 0.77 MAPT (0.43) ALDH1A1L3MBTL1POLBSMN1; SMN2HPGD
SCHEMBL28160422 0.75 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2APPTDP1
SCHEMBL29265406 0.74 APP (0.42) ALDH1A1L3MBTL1SMN1; SMN2APPMAPT
SCHEMBL13185196 0.72 APP (0.53) ALDH1A1L3MBTL1SMN1; SMN2APPKMT2A
SCHEMBL9362894 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2APPCYP3A4

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-118290352-A Azo compound, preparation method and application thereof, and medicinal composition 四川大学 2024-07-05 CN disclosed