SCHEMBL29790477

SCHEMBL29790477

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TNF P01375 1/20 0.49
ATM Q13315 1/20 0.44
GAA P10253 2/20 0.42
CA4 P22748 2/20 0.42
CA1 P00915 3/20 0.42

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
SCHEMBL2282489 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2168623 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2282582 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL15930057 0.91 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2167750 0.91 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL6255431 0.88 TNF (0.53) MEN1KMT2AALDH1A1KDM4ETNF
SCHEMBL6268629 0.86 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2168112 0.86 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2288486 0.86 ATM (0.46) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2278593 0.84 TNF (0.47) MEN1KMT2AALDH1A1MAPK1TNF

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-114907314-A Chemical synthesis method of pomalidomide 浙江工业大学 2022-08-16 CN disclosed