SCHEMBL29936508

SCHEMBL29936508

CNC(=O)c1ccc(NC(=O)Nc2ccc(-c3cccc(OC)c3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.66
PLG P00747 4/20 0.66
PLAT P00750 4/20 0.66
CNR1 P21554 1/20 0.62
TRPV1 Q8NER1 1/20 0.61
RAB9A P51151 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
TP53 P04637 4/20 0.57
TSHR P16473 1/20 0.57
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
STAT1 P42224 1/20 0.54
HTT P42858 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP3A4 P08684 1/20 0.53

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
SCHEMBL30209664 0.90 PLAU (0.66) PLAUPLGPLATCNR1TRPV1
SCHEMBL29936402 0.89 PLAU (0.65) PLAUPLGPLATCNR1TRPV1
SCHEMBL29936541 0.87 PLAU (0.65) PLAUPLGPLATCNR1TRPV1
SCHEMBL29936190 0.87 KMT2A (0.67) PLAUPLGPLATCNR1TRPV1
SCHEMBL5943974 0.81 TRPV1 (0.70) PLAUPLGPLATCNR1TRPV1
SCHEMBL5944122 0.79 TRPV1 (0.63) PLAUPLGPLATTRPV1KMT2A
SCHEMBL25308207 0.77 MAPT (0.60) PLAUPLGPLATCNR1RAB9A
SCHEMBL31115046 0.76 KMT2A (0.64) PLAUPLGPLATTRPV1RAB9A
SCHEMBL20557353 0.76 CNR1 (1.00) CNR1TP53TSHR
SCHEMBL30469241 0.76 CNR1 (1.00) CNR1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478070-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) 2024-09-27 CN claimed
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 claimed
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 claimed
CN-116478070-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) 2024-09-27 CN disclosed
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