SCHEMBL2789274

SCHEMBL2789274

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)CCOC1)Oc1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
MMP1 P03956 5/20 0.45
MMP13 P45452 5/20 0.45
BDKRB1 P46663 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
GSK3B P49841 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13165779 0.91 MAPK14 (0.50) MAPK14MMP1MMP13BDKRB1MEN1
SCHEMBL2787530 0.85 MMP1 (0.51) MAPK14MMP1MMP13MEN1KMT2A
SCHEMBL765538 0.80 BDKRB1 (0.58) MAPK14MMP1MMP13BDKRB1MEN1
SCHEMBL2807955 0.80 L3MBTL1 (0.36) BDKRB1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL2787450 0.80 L3MBTL1 (0.36) BDKRB1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL13165798 0.79 BDKRB1 (0.46) MAPK14BDKRB1ALDH1A1L3MBTL1GSK3B
SCHEMBL756518 0.78 BDKRB1 (0.39) MAPK14BDKRB1MEN1KMT2ATDP1
SCHEMBL185942 0.78 FAAH (0.38) BDKRB1GAAHTTTRPV1POLB
SCHEMBL758571 0.77 BDKRB1 (0.47) MAPK14BDKRB1MEN1KMT2ATDP1
SCHEMBL13165826 0.77 BDKRB1 (0.42) MAPK14MMP1MMP13BDKRB1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed