SCHEMBL13614318

SCHEMBL13614318

CNS(=O)(=O)NCCC1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.71
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.51
POLB P06746 2/20 0.49
ESR2 Q92731 1/20 0.49
MTNR1A P48039 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR6 P50406 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 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
SCHEMBL12810441 0.86 CA2 (0.70) CA2LMNAPOLBESR2MTNR1A
SCHEMBL438555 0.83 CA2 (1.00) CA2LMNAHTTALDH1A1MEN1
SCHEMBL9413231 0.81 CA2 (0.62) CA2HTTPOLBESR2MTNR1A
SCHEMBL7201020 0.75 MTNR1A (0.74) CA2LMNAHTTPOLBESR2
SCHEMBL9413211 0.74 CA2 (0.58) CA2HTTPOLBESR2MTNR1A
SCHEMBL9413175 0.74 POLB (0.74) CA2HTTPOLBESR2MTNR1A
SCHEMBL12309752 0.73 POLB (0.62) CA2HTTPOLBESR2MTNR1A
SCHEMBL1568393 0.73 HTT (0.66) CA2HTTPOLBMTNR1AALDH1A1
SCHEMBL28773753 0.73 CA2 (0.68) CA2LMNAHTTPOLBMTNR1A
SCHEMBL9316602 0.73 CA2 (0.58) CA2LMNAHTTPOLBESR2

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
EP-1973540-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2009-11-11 EP disclosed