SCHEMBL31265797

SCHEMBL31265797

N#C/C(=C\c1cc2ccc(O)cc2oc1=O)c1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.55
▸ PIK3CB P42338 1/20 0.55
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ RECQL P46063 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48

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
SCHEMBL31265784 1.00 PIK3CD (0.55) PIK3CDPIK3CBMEN1KMT2AMAPT
SCHEMBL31265796 1.00 PIK3CD (0.55) PIK3CDPIK3CBMEN1KMT2AMAPT
SCHEMBL26482040 0.84 MEN1 (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5594400 0.81 MEN1 (0.60) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5594744 0.76 MEN1 (0.60) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5594992 0.74 MEN1 (0.76) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL12310898 0.74 MEN1 (0.76) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL29524563 0.72 PIK3CD (1.00) PIK3CDPIK3CBMEN1KMT2AMAPT
SCHEMBL592311 0.72 PIK3CD (1.00) PIK3CDPIK3CBMEN1KMT2AMAPT
SCHEMBL29427470 0.72 PIK3CD (1.00) PIK3CDPIK3CBMEN1KMT2AMAPT

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-119330958-A Fluorescent probe for sequentially activating and detecting hydrogen sulfide and peroxynitrite as well as preparation method and application thereof 安徽工业大学 2025-01-21 — — CN claimed
CN-119330958-A Fluorescent probe for sequentially activating and detecting hydrogen sulfide and peroxynitrite as well as preparation method and application thereof 安徽工业大学 2025-01-21 — — CN disclosed
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