SCHEMBL4412573

SCHEMBL4412573

CC(C)(C)Cc1cc(Br)n(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
PARL Q9H300 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
GAA P10253 1/20 0.37
SRC P12931 1/20 0.37
PLK1 P53350 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4424529 0.83 HTR6 (0.44) HTR6LMNAPOLB
SCHEMBL1156194 0.81 HTR6 (0.44) HTR6LMNASMN1; SMN2PARLAKR1C3
SCHEMBL1156184 0.80 HTR6 (0.47) HTR6LMNASMN1; SMN2HTR1ADRD2
SCHEMBL1156624 0.79 CHRM5 (0.43) HTR6LMNASMN1; SMN2AKR1C3AKR1C1
SCHEMBL4411754 0.77 CHRM5 (0.42) HTR6LMNASMN1; SMN2AKR1C3AKR1C1
SCHEMBL1156547 0.76 HTR6 (0.45) HTR6LMNASMN1; SMN2HTR1ADRD2
SCHEMBL1156621 0.75 HTR2C (0.42) HTR6LMNASMN1; SMN2HTR1ADRD2
SCHEMBL4411752 0.73 HTR2C (0.41) HTR6LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1156550 0.73 GAA (0.44) HTR6AKR1C3AKR1C1GAAMEN1
SCHEMBL29065520 0.72 HTR6 (0.47) HTR6LMNASMN1; SMN2PARLAKR1C3

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
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed