SCHEMBL2484716

SCHEMBL2484716

CCOC(=O)Oc1cc(Br)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 3/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SOAT1 P35610 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRB2 P47870 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL6840728 0.77 CFD (0.38) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL2486696 0.73 CUL4A (0.47) CUL4AALDH1A1KMT2AMEN1LMNA
SCHEMBL419072 0.72 CA12 (0.42) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL9688433 0.71 POLB (0.48) CUL4AALDH1A1KMT2AMEN1LMNA
SCHEMBL2484620 0.70 MAPT (0.46) ALDH1A1KDM4EMAPTGABRB2
SCHEMBL2323034 0.70 ALDH1A1 (0.50) CUL4AALDH1A1KMT2AGPR35MAOB
SCHEMBL17530795 0.69 XPO1 (0.41) CUL4AKMT2AMEN1LMNAKDM4E
SCHEMBL28813543 0.69 THRB (0.37) LMNATYMS
SCHEMBL10973674 0.69 MMP1 (0.44) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL6650891 0.69 KMT2A (0.44) CUL4AALDH1A1KMT2AMEN1LMNA

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
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
EP-2376479-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed