SCHEMBL6110740

SCHEMBL6110740

COc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MCOLN3 Q8TDD5 2/20 0.44
TRPV4 Q9HBA0 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.41
ADRA2A P08913 1/20 0.40
NPY5R Q15761 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPBWR1 P48145 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL21812728 0.83 GAA (0.70) GAAALDH1A1LMNASMN1; SMN2MCOLN3
SCHEMBL6110753 0.79 HSD11B1 (0.59) MCOLN3TRPV4HSD11B1
SCHEMBL6034697 0.78 USP5 (0.49) GAAALDH1A1LMNATRPV4TSHR
SCHEMBL19869952 0.77 ALDH1A1 (0.57) GAAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL19869965 0.76 GAA (0.62) GAAALDH1A1SMN1; SMN2MCOLN3TSHR
SCHEMBL25188793 0.75 HTR2A (0.55) GAAALDH1A1
SCHEMBL17843485 0.73 GAA (0.66) GAAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6111481 0.73 HSD11B1 (0.48) HSD11B1NPY5RMCHR1RORC
SCHEMBL21812733 0.73 LMNA (0.46) GAAALDH1A1LMNAHTTTRPV4
SCHEMBL6111072 0.72 EPHX2 (0.48) GAALMNASMN1; SMN2

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-2006134481-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1 PFIZER INC. (US) 2006-12-21 WO disclosed