SCHEMBL28786183

SCHEMBL28786183

CN=Nc1cccc(-c2c(C(=O)O)cccc2C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.41
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ BLVRB P30043 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ APP P05067 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MYC P01106 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL17454827 0.75 MGLL (0.42) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL23554009 0.74 RAB9A (0.55) MEN1KMT2ATHRBRECQLTDP1
SCHEMBL25313886 0.74 CA2 (0.50) HNF4AMEN1KMT2APOLBALDH1A1
SCHEMBL25313881 0.74 CA2 (0.50) HNF4AMEN1KMT2APOLBALDH1A1
SCHEMBL70098 0.72 HNF4A (0.63) HNF4ATDP1FABP4ALDH1A1MAPT
SCHEMBL18042647 0.70 ACMSD (0.52) HNF4AMEN1KMT2AALDH1A1MAPT
SCHEMBL25316239 0.70 ALDH1A1 (0.41) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL25316234 0.70 ALDH1A1 (0.41) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL10813118 0.70 NOS1 (0.44) MEN1KMT2ATDP1ALDH1A1
SCHEMBL10813110 0.70 NOS1 (0.44) MEN1KMT2ATDP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114618444-B Modified metal organic polyhedral material, preparation method and application thereof 南京工业大学 2023-09-01 — — CN claimed
CN-114618444-A Modified metal organic polyhedral material, preparation method and application thereof 南京工业大学 2022-06-14 — — CN claimed
CN-114618444-B Modified metal organic polyhedral material, preparation method and application thereof 南京工业大学 2023-09-01 — — CN disclosed
CN-114618444-A Modified metal organic polyhedral material, preparation method and application thereof 南京工业大学 2022-06-14 — — CN disclosed
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