SCHEMBL15423952

SCHEMBL15423952

O=S(=O)(c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
GAA P10253 2/20 0.66
HTT P42858 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 2/20 0.66
LMNA P02545 3/20 0.65
MAPT P10636 2/20 0.65
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 1/20 0.59
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
MMP2 P08253 1/20 0.57
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
GRIN1 Q05586 1/20 0.55

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
SCHEMBL14470092 0.90 MEN1 (0.81) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL14821411 0.86 MEN1 (0.75) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL5915300 0.86 MEN1 (0.75) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL3813872 0.86 MEN1 (0.75) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL14470115 0.86 MEN1 (0.75) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL17628468 0.82 KMT2A (0.70) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL31212426 0.81 MEN1 (0.67) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL14469937 0.81 MEN1 (0.67) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL31212433 0.81 MEN1 (0.67) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL31212429 0.81 MEN1 (0.67) MEN1KMT2AGAAHTTSMN1; SMN2

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-2014012054-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATENT PAIN THERAPEUTICS, INC. (US) 2014-01-16 WO disclosed