SCHEMBL28867362

SCHEMBL28867362

O=CC1CN(C(=O)c2c(F)cccc2F)C(c2cccc(Cl)c2)N1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
EPHX2 P34913 2/20 0.37
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MGLL Q99685 1/20 0.35
ADRA2C P18825 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GRM5 P41594 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
SCHEMBL28261949 0.89 ALDH1A1 (0.46) LMNAALDH1A1L3MBTL1MGLLMEN1
SCHEMBL28261984 0.89 LMNA (0.39) LMNAALDH1A1GAAL3MBTL1HCRTR1
SCHEMBL28261983 0.88 LMNA (0.38) LMNAALDH1A1HCRTR1HCRTR2MGLL
SCHEMBL28263128 0.87 KMT2A (0.42) LMNAALDH1A1HCRTR1HCRTR2MEN1
SCHEMBL28263132 0.84 ABCB1 (0.44) EPHX2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28263127 0.84 LMNA (0.35) LMNAEPHX2ALDH1A1HCRTR1HCRTR2
SCHEMBL28263133 0.79 KMT2A (0.35) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL28261953 0.78 KMT2A (0.36) HCRTR2SIGMAR1MEN1KMT2A
SCHEMBL28261971 0.78 GRM5 (0.40) LMNAEPHX2ALDH1A1L3MBTL1GRM5
SCHEMBL28263140 0.76 KAT6A (0.39) LMNAEPHX2ALDH1A1L3MBTL1MEN1

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