SCHEMBL7983548

SCHEMBL7983548

CCCCOc1ccccc1C(=O)[N]S(=O)(=O)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 2/20 0.44

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
SCHEMBL7991085 0.89 LMNA (0.54) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL7974560 0.87 HCRTR1 (0.53) LMNAKMT2AMAPTMEN1L3MBTL1
SCHEMBL7973346 0.82 CTSD (0.50) LMNAKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL1083152 0.81 LMNA (0.57) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL1082961 0.81 LMNA (0.57) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL7984830 0.80 HCRTR1 (0.49) LMNAKMT2AMAPTMEN1L3MBTL1
SCHEMBL7987852 0.78 IRAK4 (0.54) LMNAALDH1A1TDP1KDM4ERXFP1
SCHEMBL12419023 0.78 LMNA (0.55) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL9898531 0.78 LMNA (0.66) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL8154526 0.77 LMNA (0.74) LMNAKMT2AMAPTMEN1NR1I2

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
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed