SCHEMBL28081968

SCHEMBL28081968

COc1cccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PRNP P04156 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NHERF1 O14745 1/20 0.44
TP53 P04637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PYGL P06737 2/20 0.43

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
SCHEMBL28832324 0.94 TDP1 (0.49) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28082017 0.91 TP53 (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28082011 0.89 TDP1 (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28081958 0.89 EGFR (0.51) ALDH1A1KMT2AMEN1TDP1NHERF1
SCHEMBL28257814 0.86 TDP1 (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28081953 0.83 TDP1 (0.48) TDP1NHERF1MRGPRX4PYGL
SCHEMBL28257737 0.81 TDP1 (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12173106 0.79 MAPT (0.71) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28081980 0.78 TP53 (0.69) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28081954 0.77 MEN1 (0.54) MAPTALDH1A1KMT2AMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed