SCHEMBL2224893

SCHEMBL2224893

COc1ccc(S(=O)(=O)c2cc(Br)ccc2OC)cc1NC1CCNCC1CF

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
HTR4 Q13639 1/20 0.35
GAA P10253 1/20 0.35
GHSR Q92847 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
WDR5 P61964 2/20 0.33
BRD4 O60885 2/20 0.33
ACLY P53396 1/20 0.33
PSMD14 O00487 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 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
SCHEMBL16986605 0.88 GLA (0.38) SMN1; SMN2GLAALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL2223570 0.87 GLA (0.37) SMN1; SMN2GLAALDH1A1LMNATSHR
SCHEMBL16986606 0.82 GLA (0.36) SMN1; SMN2GLAALDH1A1TSHRHTR7
SCHEMBL16986598 0.81 HTR6 (0.42) SMN1; SMN2GLAALDH1A1TSHRHTR7
Hydrochloric Acid SCHEMBL2224896 0.81 GLA (0.35) SMN1; SMN2GLAALDH1A1TSHRHTR7
Hydrochloric Acid SCHEMBL2224778 0.81 HTR6 (0.42) SMN1; SMN2GLAALDH1A1TSHRHTR7
Hydrochloric Acid SCHEMBL2224259 0.77 NAMPT (0.39) SMN1; SMN2TSHRHTR6POLB
SCHEMBL16986601 0.75 BRD4 (0.43) SMN1; SMN2GLAALDH1A1TSHRHTR7
Hydrochloric Acid SCHEMBL2224249 0.74 POLB (0.43) ALDH1A1LMNATSHRHTR7HTR6
Hydrochloric Acid SCHEMBL2221121 0.74 BRD4 (0.42) SMN1; SMN2GLAALDH1A1TSHRHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521714-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP claimed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 WO claimed
EP-2521714-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP disclosed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 WO disclosed