SCHEMBL4304293

SCHEMBL4304293

NC(=O)[CH]CSc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.39
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
ADRA2A P08913 2/20 0.38
CYP2D6 P10635 2/20 0.38
HIF1A Q16665 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3979840 0.77 ALDH1A1 (0.48) SOD1LMNAKMT2AADRA2ACYP2D6
SCHEMBL3064663 0.71 FFAR1 (0.54) SOD1LMNAKMT2AMEN1ALDH1A1
SCHEMBL19982393 0.71 ALDH1A1 (0.46) SOD1LMNAKMT2AMEN1HSD17B10
SCHEMBL3979841 0.69 CYP1A2 (0.47) SOD1KMT2ACYP2D6MEN1CYP3A4
SCHEMBL3454803 0.67 ALDH1A1 (0.51) SOD1LMNAKMT2AMEN1MAPK1
SCHEMBL3408304 0.66 KMT2A (0.42) LMNAKMT2AADRA2ACYP2D6HIF1A
SCHEMBL10388336 0.66 TEAD1 (0.59) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL8552122 0.66 SOD1 (0.37) SOD1LMNAKMT2AMEN1HSD17B10
SCHEMBL14290971 0.64 ALDH1A1 (0.36) SOD1LMNAKMT2AMEN1HTR2A
SCHEMBL8469629 0.64 TSHR (0.39) SOD1KMT2AMEN1CYP3A4ALDH1A1

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
WO-2009127722-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed