SCHEMBL28295609

SCHEMBL28295609

O=C(O)CC(=O)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.81
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TGM2 P21980 1/20 0.59
KEAP1 Q14145 2/20 0.58
NFE2L2 Q16236 2/20 0.58
FOLH1 Q04609 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51

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
SCHEMBL319161 0.89 HTT (1.00) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10947796 0.87 HTT (0.78) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.86 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16409727 0.86 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8698925 0.85 HTT (0.80) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL12409527 0.85 HTT (0.80) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL879577 0.85 HTT (0.91) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.84 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.84 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9340146 0.84 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1

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-109689654-A 7-substituted 1-pyridyl-naphthyridine-3-carboxamides and their use 拜耳医药股份有限公司 2019-04-26 CN disclosed