SCHEMBL7528853

SCHEMBL7528853

CC(C)(C)OC(=O)C(C1CCCNC1)N(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.39
CCR8 P51685 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 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
SCHEMBL7799840 0.87 POLB (0.41) POLBLMNACCR8GAAKMT2A
SCHEMBL7533916 0.86 HTR6 (0.38) POLBLMNACCR8KMT2AMAPT
SCHEMBL7531036 0.81 HTR6 (0.43) LMNAGAAMAPTMCOLN3SMN1; SMN2
SCHEMBL7500612 0.81 HTT (0.34) LMNACCR8CHRNB2CHRNB4CHRNA3
SCHEMBL7493966 0.80 KMT2A (0.36) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL7493957 0.80 KMT2A (0.36) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL7499837 0.80 KMT2A (0.36) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL7497433 0.79 KMT2A (0.35) CCR8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7966504 0.78 KMT2A (0.34) CCR8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7496325 0.77 CACNA2D1 (0.41) KMT2AMEN1SLC6A2SLC6A4SLC6A3

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-2002022579-A2 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-03-21 WO disclosed