SCHEMBL28566745

SCHEMBL28566745

NC(=O)Oc1ccc(OCc2ccnc(Cl)c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
MRGPRX4 Q96LA9 6/20 0.43
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
F2 P00734 2/20 0.40
GRM5 P41594 1/20 0.38
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 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
SCHEMBL17004782 0.80 MAPK14 (0.47) MGLLMRGPRX4
SCHEMBL28658231 0.80 ESRRA (0.37) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL17014137 0.79 RECQL (0.41) MGLLMRGPRX4PLAUPLATRECQL
SCHEMBL28588449 0.78 LRRK2 (0.45) MRGPRX4PLAUPLATMEN1KMT2A
SCHEMBL31086622 0.77 KMT2A (0.46) MGLLGRM5MEN1NPC1RAB9A
SCHEMBL17008483 0.77 KMT2A (0.46) MGLLGRM5MEN1NPC1RAB9A
SCHEMBL17017625 0.75 MAPK14 (0.46) MRGPRX4
SCHEMBL29711834 0.75 MAPK14 (0.46) MRGPRX4
SCHEMBL18546338 0.75 MRGPRX4 (0.44) MGLLMRGPRX4RECQLMEN1NPC1
SCHEMBL28775209 0.75 RECQL (0.53) MRGPRX4RECQLLOXLOXL3LOXL2

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-110522731-B Aromatic heterocycles as anti-inflammatory compounds 瑞斯比维特有限公司 2022-08-02 CN disclosed
CN-113264921-A Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2021-08-17 CN disclosed
CN-106573914-B Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2021-05-28 CN disclosed