SCHEMBL30139606

SCHEMBL30139606

COC(=O)CN(CC(=O)OC)c1ccc(/C=C/C2N(C)c3ccccc3C2(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.30
▸ HPGD P15428 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL30139605 0.88 HPGD (0.33) KDM4EMAPTHTTLMNAHDAC1
SCHEMBL6128338 0.82 MAPT (0.42) KDM4EMAPTLMNAPOLBCNR2
SCHEMBL13138317 0.78 RELA (0.45) KDM4EMAPTHTTPOLBPPARG
SCHEMBL9812776 0.78 RELA (0.45) KDM4EMAPTHTTPOLBPPARG
Hydrochloric Acid SCHEMBL11791882 0.77 RELA (0.44) KDM4EMAPTHTTPOLBPPARG
SCHEMBL10267718 0.77 MAPT (0.36) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL29012247 0.76 APP (0.34) KDM4EMAPTLMNACNR1MEN1
SCHEMBL13698927 0.76 APP (0.34) KDM4EMAPTLMNACNR1MEN1
SCHEMBL29653731 0.76 APP (0.34) KDM4EMAPTLMNACNR1MEN1
SCHEMBL14086709 0.75 KMT2A (0.35) MAPTHTTLMNAMEN1KMT2A

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-111056985-B Partially cyanine derivative fluorescent probe and preparation method and application thereof 广州大学 2022-12-27 — — CN disclosed
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