SCHEMBL28999837

SCHEMBL28999837

O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccco2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ POLB P06746 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ BLM P54132 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ HPGD P15428 3/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ PTPN7 P35236 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL28999844 0.85 HPGD (0.64) KMT2AALDH1A1POLBMAPTTDP1
SCHEMBL28999868 0.84 ALDH1A1 (0.65) KMT2AALDH1A1POLBMAPTTDP1
SCHEMBL108701 0.83 KMT2A (0.73) KMT2AALDH1A1POLBTDP1HPGD
SCHEMBL28999825 0.81 HSD17B10 (0.60) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL28999824 0.80 KDM4E (0.65) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL28999849 0.80 KMT2A (0.65) KMT2AALDH1A1POLBMAPTTDP1
SCHEMBL28999828 0.80 HPGD (0.61) KMT2AALDH1A1POLBTDP1HPGD
SCHEMBL28999865 0.79 HSD17B10 (0.64) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL28999827 0.78 KMT2A (0.58) KMT2AALDH1A1POLBTDP1HPGD
SCHEMBL30259866 0.78 HPGD (0.67) KMT2AALDH1A1POLBMAPTTDP1

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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