SCHEMBL6983129

SCHEMBL6983129

C=C(C)[C@@](O)(CNS(=O)(=O)c1ccc(Br)s1)C(C)=CCCCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL6990899 0.88 KMT2A (0.50) SMN1; SMN2TSHRKMT2AMEN1CYP1A2
SCHEMBL2982271 0.72 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL6989653 0.68 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL6989103 0.68 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL3158236 0.67 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL6983211 0.66 TSHR (0.49) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL6989125 0.65 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL6992720 0.65 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1TSHRKMT2AMEN1
SCHEMBL1168717 0.65 MAPT (0.41) SMN1; SMN2MAPK1KMT2AMEN1CYP3A4
SCHEMBL6986886 0.64 KMT2A (0.54) SMN1; SMN2TSHRKMT2AMEN1CYP1A2

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-1341779-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2003-09-10 EP claimed
WO-2002057252-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2002-07-25 WO claimed