SCHEMBL28261986

SCHEMBL28261986

O=CC1CN(C(=O)c2ccccc2Br)C(c2cccc(Br)c2)N1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.36
HDAC4 P56524 1/20 0.36
ELANE P08246 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
KMT2A Q03164 3/20 0.35
PREP P48147 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL28263140 0.90 KAT6A (0.39) CCR5HDAC4KMT2APREPL3MBTL1
SCHEMBL28263101 0.87 HDAC4 (0.40) HDAC4KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL28263120 0.84 CDC25B (0.37) KMT2APOLBLMNAMEN1MAPT
SCHEMBL28261964 0.84 KMT2A (0.35) KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL28263128 0.83 KMT2A (0.42) HDAC4ELANEHCRTR1HCRTR2KMT2A
SCHEMBL28263118 0.82 HSD11B1 (0.41) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL28263098 0.82 KMT2A (0.36) HDAC4KMT2AMEN1MAPTKDM4E
SCHEMBL28867359 0.81 HTT (0.38) KMT2AL3MBTL1ALDH1A1MEN1NPSR1
SCHEMBL28261985 0.81 RORC (0.45) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL28261953 0.79 KMT2A (0.36) HDAC4HCRTR2KMT2AMEN1NPSR1

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
CN-109071457-A Inhibitors of indoleamine 2, 3-dioxygenase 荷兰转化研究中心有限责任公司 2018-12-21 CN disclosed