SCHEMBL29197218

SCHEMBL29197218

Cc1cc(OC(N)=O)ccc1Oc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
POLB P06746 4/20 0.42
ALDH1A1 P00352 11/20 0.39
KMT2A Q03164 7/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 6/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 5/20 0.38
HTT P42858 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL28596643 0.87 MEN1 (0.43) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29197221 0.83 ALDH1A1 (0.45) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL13779864 0.76 MAPT (0.46) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL29197230 0.76 ALDH1A1 (0.41) LMNASMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL28474988 0.76 TSHR (0.53) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL31692885 0.72 ALDH1A1 (0.50) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL28470561 0.72 MEN1 (0.53) KDM4EPOLBKMT2AHSD17B10MEN1
SCHEMBL20240592 0.72 NPSR1 (0.55) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL28369997 0.70 LMNA (0.54) LMNASMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL1572278 0.70 ALDH1A1 (0.60) KDM4ESMN1; SMN2POLBALDH1A1MAPT

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-117940425-A HER2 mutation inhibitors 阿雷生物药品公司 2024-04-26 CN disclosed