SCHEMBL7533916

SCHEMBL7533916

CC(C)(C)OC(=O)C(C1CCCNC1)N(c1ccccc1)S(=O)(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
LMNA P02545 4/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CCR8 P51685 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
CACNA2D1 P54289 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7528853 0.86 POLB (0.43) LMNAALDH1A1KMT2AHSD17B10CCR8
SCHEMBL7496325 0.81 CACNA2D1 (0.41) ALDH1A1KMT2ACACNA2D1
SCHEMBL7531036 0.79 HTR6 (0.43) HTR6LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL7500612 0.76 HTT (0.34) LMNAALDH1A1KMT2ACCR8HTT
SCHEMBL7493957 0.75 KMT2A (0.36) KMT2AMAPT
SCHEMBL7493966 0.75 KMT2A (0.36) KMT2AMAPT
SCHEMBL7499837 0.75 KMT2A (0.36) KMT2AMAPT
SCHEMBL6290237 0.74 HTR6 (0.40) HTR6ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL7497433 0.74 KMT2A (0.35) KMT2ACCR8MAPT
SCHEMBL7799840 0.73 POLB (0.41) LMNAKMT2ACCR8SMN1; SMN2POLB

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