SCHEMBL28032478

SCHEMBL28032478

COC(=O)Nc1cc(=O)c2ccccc2o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
LMNA P02545 3/20 0.75
HPGD P15428 2/20 0.75
HSD17B10 Q99714 2/20 0.75
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
TNKS O95271 1/20 0.52
USP2 O75604 1/20 0.50
CSNK2A2 P19784 1/20 0.50
PTGS1 P23219 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL12325324 0.84 KDM4E (0.66) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL11398949 0.81 KDM4E (0.62) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL11388357 0.80 KDM4E (0.60) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL5613922 0.80 HPGD (0.53) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL11388353 0.79 KDM4E (0.63) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL11856459 0.79 KDM4E (0.59) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL11865739 0.78 KDM4E (0.77) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL11856467 0.78 KDM4E (0.58) KDM4ELMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL29463595 0.75 MAPT (0.68) KDM4ELMNASMN1; SMN2HTTALDH1A1
SCHEMBL3397825 0.75 MAPT (0.68) KDM4ELMNASMN1; SMN2HTTALDH1A1

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-105753965-A Conjugate Based Systems For Controlled Drug Delivery 斯马特塞尔斯公司 2016-07-13 CN disclosed
CN-104936595-A Methods and compositions for locally increasing body fat TOPOKINE THERAPEUTICS INC 2015-09-23 CN disclosed