SCHEMBL28619019

SCHEMBL28619019

CNC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.55
MAPT P10636 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
STAT3 P40763 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
GLA P06280 1/20 0.53
LMNA P02545 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
HPGD P15428 2/20 0.50

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
SCHEMBL9205145 0.87 KMT2A (0.62) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL9202235 0.86 CFTR (0.57) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL9205772 0.86 MAPK8 (0.65) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL18229452 0.83 CTSL (0.62) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL1395865 0.82 MAPT (0.62) MAPTMEN1KMT2ASTAT3RAB9A
SCHEMBL28369557 0.82 MAPT (0.58) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL18229447 0.81 MAPT (0.57) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL28373046 0.81 LMNA (0.68) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL28373392 0.81 MAPT (0.59) MAPK8MAPTMEN1KMT2ASTAT3
SCHEMBL28341452 0.80 MAPT (0.75) MAPTMEN1KMT2ASTAT3RAB9A

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-113248399-A O-amino aromatic amide derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2021-08-13 CN disclosed