SCHEMBL28458644

SCHEMBL28458644

Cc1ccc(CC(=O)CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CTBP2 P56545 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 4/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.39
MAPK8 P45983 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
SCHEMBL4940818 0.81 L3MBTL1 (0.62) L3MBTL1TDP1CTBP2RAB9ANPC1
SCHEMBL710924 0.81 NPC1 (0.44) L3MBTL1TDP1CTBP2RAB9ANPC1
SCHEMBL922780 0.80 HTT (0.54) TDP1CTBP2NPC1ALDH1A1CYP2C19
SCHEMBL1529438 0.80 MCL1 (0.55) L3MBTL1TDP1CTBP2ALDH1A1GAA
SCHEMBL28166370 0.79 ALDH1A1 (0.47) L3MBTL1TDP1ALDH1A1GAATHRB
SCHEMBL4852261 0.79 CTBP2 (0.50) L3MBTL1TDP1CTBP2NPC1ALDH1A1
SCHEMBL28458645 0.78 CTBP2 (0.39) L3MBTL1TDP1CTBP2RAB9ANPC1
SCHEMBL16746887 0.78 LMNA (0.58) HPGDALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL10520154 0.77 CYP19A1 (0.42) RAB9ANPC1ALDH1A1GAASMN1; SMN2
SCHEMBL11470932 0.76 CTBP2 (0.47) L3MBTL1TDP1CTBP2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269247-B Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-11-24 CN claimed
CN-111269247-A Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-06-12 CN claimed
CN-111269247-B Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-11-24 CN disclosed
CN-111269247-B Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-11-24 CN disclosed
CN-111269247-A Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-06-12 CN disclosed
CN-111269247-A Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-06-12 CN disclosed