SCHEMBL18155146

SCHEMBL18155146

CC(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ LMNA P02545 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 10/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CTSB P07858 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL11555850 0.89 MAPT (0.61) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL259406 0.79 MAPT (0.69) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL22455919 0.78 MAPT (0.60) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL10740552 0.78 MAPT (0.52) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL2711990 0.77 MAPT (0.77) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL7800482 0.77 GAA (0.72) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL18157848 0.77 MAPT (0.69) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL27883230 0.77 MAPT (0.64) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL10760236 0.77 MAPT (0.61) MAPTKDM4EL3MBTL1LMNATDP1
SCHEMBL18110699 0.77 MAPT (0.53) MAPTKDM4EL3MBTL1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283488-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS Hangzhou Innogate Pharma Co., Ltd. (CN) 2018-02-21 — — EP disclosed
WO-2016165613-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2016-10-20 — — WO disclosed
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