SCHEMBL9856596

SCHEMBL9856596

CNC(CC(Cc1ccccc1C)c1ccccc1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9856589 0.72 CYP2D6 (0.44) MEN1KMT2ASLC6A2SLC6A4CYP3A4
SCHEMBL13290817 0.69 ALDH1A1 (0.43) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL7305249 0.69 ALDH1A1 (0.42) CYP3A4CYP2D6ALDH1A1LMNASMN1; SMN2
SCHEMBL9856804 0.68 CYP2D6 (0.42) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL9475352 0.68 VDR (0.46) CYP3A4CYP2D6ALDH1A1LMNASMN1; SMN2
SCHEMBL6762680 0.68 VDR (0.46) CYP3A4CYP2D6ALDH1A1LMNASMN1; SMN2
SCHEMBL11269067 0.68 TRPA1 (0.46) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL8622006 0.68 GAA (0.40) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL25403099 0.67 ALDH1A1 (0.45) MEN1KMT2ACYP3A4CYP2D6ALDH1A1
SCHEMBL7259363 0.67 CA2 (0.46) CYP3A4ALDH1A1LMNASMN1; SMN2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed