SCHEMBL29285273

SCHEMBL29285273

S=C(c1cccs1)c1cccc2snnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.33
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL5353984 0.69 MAPT (0.33) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL3739493 0.69 ALDH1A1 (0.44) ALOX15ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL31074229 0.69 CES2 (0.56) LMNACES2CES1ALDH1A1MAPT
SCHEMBL28754170 0.68 ALDH1A1 (0.37) LMNAALOX15ALDH1A1MAPTNPC1
SCHEMBL29527999 0.68 ALDH1A1 (0.37) LMNAALOX15ALDH1A1MAPTNPC1
SCHEMBL2239464 0.67 KDM4E (0.40) ALOX15ALDH1A1MAPTTDP1NPC1
SCHEMBL3747840 0.65 GAA (0.44) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL30546824 0.65 MAPT (0.34) LMNAALDH1A1MAPTTDP1NPC1
SCHEMBL5355939 0.64
SCHEMBL21718806 0.64 CA2 (0.39) ALDH1A1TDP1

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-118284614-A Diaryloxybenzobisoxazole compounds disubstituted with thienothiophene groups 埃尼股份公司 2024-07-02 CN disclosed