SCHEMBL27281113

SCHEMBL27281113

NC(=O)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.67
ADRA2B P18089 9/20 0.67
ADRA2C P18825 9/20 0.67
ADRA1A P35348 4/20 0.67
ADRA1D P25100 3/20 0.67
ADRA1B P35368 3/20 0.67
TSHR P16473 2/20 0.67
NFKB1 P19838 2/20 0.67
HSD17B10 Q99714 1/20 0.67
BLM P54132 3/20 0.65
HTR1D P28221 4/20 0.62
CYP2D6 P10635 3/20 0.62
NISCH Q9Y2I1 3/20 0.62
HTR1B P28222 3/20 0.62
CYP1A2 P05177 1/20 0.62
LMNA P02545 5/20 0.61
HIF1A Q16665 2/20 0.57
HRH2 P25021 2/20 0.57
MEN1 O00255 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
SCHEMBL27277154 0.91 ADRA2C (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6844110 0.86 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL27271490 0.82 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1AADRA1D
Apraclonidine SCHEMBL34128 0.80 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10414088 0.80 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11180812 0.80 ADRA2A (0.76) ADRA2AADRA2BADRA2CADRA1AADRA1D
Bromide SCHEMBL11608848 0.79 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1AADRA1D
Apraclonidine SCHEMBL1002875 0.79 BLM (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
Apraclonidine SCHEMBL1649431 0.79 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10748591 0.79 CFB (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86108972-A New benzamides and preparation method thereof and the application in treatment 1987-11-18 CN claimed
CN-1018454-B BENZAMIDES, METHOD OF OBTAINING THEM AND THERAPEUTIC APPLICATIONS ILE DE FRANCE (FR) 1992-09-30 CN disclosed
CN-86108972-A New benzamides and preparation method thereof and the application in treatment 1987-11-18 CN disclosed