SCHEMBL28999828

SCHEMBL28999828

O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2cccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ POLB P06746 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL28999860 0.85 SMN1; SMN2 (0.71) HPGDSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL28999844 0.84 HPGD (0.64) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL14082858 0.83 HPGD (0.68) HPGDSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL108701 0.83 KMT2A (0.73) HPGDSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL28999825 0.82 HSD17B10 (0.60) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL28999827 0.82 KMT2A (0.58) HPGDSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL28999865 0.81 HSD17B10 (0.64) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL28999837 0.80 KMT2A (0.55) HPGDSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL28999849 0.79 KMT2A (0.65) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL28999824 0.79 KDM4E (0.65) HPGDSMN1; SMN2ALDH1A1KMT2APOLB

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-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 — — CN claimed
CN-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 — — CN disclosed
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