SCHEMBL28489151

SCHEMBL28489151

CC(=O)Nc1cc(OC(C)C)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.44
BRPF1 P55201 1/20 0.43
EP300 Q09472 1/20 0.43
HIF1A Q16665 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
PDK1 Q15118 1/20 0.41
HCAR3 P49019 4/20 0.41
RORC P51449 1/20 0.39

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
SCHEMBL9835504 0.85 ALDH1A1 (0.50) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL9835516 0.85 ALDH1A1 (0.50) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL28493375 0.84 SMN1; SMN2 (0.46) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL28498386 0.83 BRPF1 (0.51) ALDH1A1BRPF1KMT2ARORC
SCHEMBL28493216 0.80 AKR1C3 (0.55) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL11951437 0.79 ALDH1A1 (0.51) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL2342408 0.78 POLB (0.53) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL2129921 0.78 NPSR1 (0.50) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL28550137 0.77 ALDH1A1 (0.53) NPSR1GALR2MITFALDH1A1LMNA
SCHEMBL3915677 0.77 SLC9A1 (0.51) NPSR1GALR2MITFALDH1A1LMNA

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-112079741-A Aminobenzoic acid derivative and preparation method and application thereof 武汉化工新材料工业技术研究院有限责任公司 2020-12-15 CN disclosed