SCHEMBL28869820

SCHEMBL28869820

COC(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.61
ANO1 Q5XXA6 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 1/20 0.53
IDO1 P14902 1/20 0.52

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
SCHEMBL2084877 0.89 MEN1 (0.64) GPR84KMT2ALMNAMEN1ALDH1A1
SCHEMBL28869825 0.87 HRH3 (0.64) GPR84KMT2ALMNAMEN1HRH3
SCHEMBL7237069 0.86 ANO1 (0.61) GPR84ANO1KMT2APKMLMNA
SCHEMBL28885924 0.85 KMT2A (0.68) ANO1KMT2APKMLMNAMEN1
SCHEMBL21198341 0.84 ANO1 (0.78) ANO1
SCHEMBL27332104 0.82 MEN1 (0.61) ANO1KMT2APKMLMNAMEN1
SCHEMBL31218207 0.81 HRH3 (0.67) KMT2ALMNAMEN1HRH3ALDH1A1
SCHEMBL7807900 0.81 HRH3 (0.67) KMT2ALMNAMEN1HRH3ALDH1A1
SCHEMBL28373402 0.81 KCNJ5 (0.62) ANO1KMT2APKMLMNAMEN1
SCHEMBL24799100 0.81 ANO1 (0.67) ANO1KMT2APKMLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478070-A Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral 山东第一医科大学(山东省医学科学院) 2023-07-25 CN disclosed
CN-115093359-B Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral 山东第一医科大学(山东省医学科学院) 2023-06-09 CN disclosed
CN-115093359-A Compound, pharmaceutical composition and application of compound and pharmaceutical composition in field of blood vessel expansion or virus resistance 山东第一医科大学(山东省医学科学院) 2022-09-23 CN disclosed