SCHEMBL28680226

SCHEMBL28680226

COC(=O)CCC(C(=O)OC)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.56
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL7858417 0.91 TNF (0.58) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL5958908 0.81 ALDH1A1 (0.55) TNFALDH1A1MAPK1MAPTPOLB
SCHEMBL29144184 0.80 TNF (0.49) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL30049141 0.80 TNF (0.49) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL2278593 0.80 TNF (0.47) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL24813373 0.80 TNF (0.49) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL2280493 0.80 TNF (0.47) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL6233523 0.79 NPC1 (0.41) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL15930057 0.79 ALDH1A1 (0.64) TNFALDH1A1MEN1MAPK1KMT2A
SCHEMBL2167750 0.79 ALDH1A1 (0.64) TNFALDH1A1MEN1MAPK1KMT2A

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-109651334-B Process for preparing substituted piperidinedione derivatives 南京卡文迪许生物工程技术有限公司 2021-12-21 CN disclosed