SCHEMBL29201481

SCHEMBL29201481

CNC(=O)c1ccccc1-c1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
POLB P06746 1/20 0.67
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
KDM4E B2RXH2 3/20 0.55
PLK1 P53350 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MTNR1A P48039 1/20 0.52
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51

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
SCHEMBL974430 0.87 GAA (0.67) GAAPOLBTAS1R3TAS1R1KDM4E
SCHEMBL21590358 0.86 MTNR1A (0.52) GAAPOLBTAS1R3TAS1R1KDM4E
SCHEMBL9117254 0.84 GAA (0.63) GAAPOLBTAS1R3TAS1R1KDM4E
SCHEMBL29272833 0.84 KDM4E (0.71) GAAPOLBTAS1R3TAS1R1KDM4E
SCHEMBL6276231 0.83 SLC6A3 (0.71) GAAPOLBKDM4ECYP1A2CYP2D6
SCHEMBL31393767 0.83 GAA (0.89) GAAPOLBKDM4ECYP2C9SMN1; SMN2
SCHEMBL8715012 0.83 GAA (0.89) GAAPOLBKDM4ECYP2C9SMN1; SMN2
SCHEMBL30045516 0.83 GAA (0.60) GAAPOLBKDM4ECYP1A2CYP2D6
SCHEMBL29011848 0.83 GAA (0.60) GAAPOLBKDM4ECYP1A2CYP2D6
SCHEMBL3223294 0.83 CHRNB2 (0.65) GAAPOLBSMN1; SMN2ALDH1A1HTT

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-114835599-B Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2024-05-03 CN disclosed
CN-114835599-A Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2022-08-02 CN disclosed