SCHEMBL6988643

SCHEMBL6988643

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
GALR3 O60755 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL6986543 0.85 KMT2A (0.52) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6987777 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2
SCHEMBL6987688 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2
SCHEMBL6988820 0.78 SMN1; SMN2 (0.68) SMN1; SMN2MAPK1MEN1KMT2AGALR3
SCHEMBL6983808 0.78 SMN1; SMN2 (0.68) SMN1; SMN2MAPK1MEN1KMT2AGALR3
SCHEMBL6323420 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2
SCHEMBL6989125 0.76 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2
SCHEMBL6992720 0.76 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2
SCHEMBL1163936 0.74 SMN1; SMN2 (0.66) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2
SCHEMBL6992717 0.73 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MEN1KMT2ACYP1A2

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