SCHEMBL6989604

SCHEMBL6989604

C=CCOC1CCC([C@@H](O)CNS(=O)(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MDM2 Q00987 2/20 0.36
TP53 P04637 1/20 0.36
F10 P00742 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6991652 0.84 KMT2A (0.45) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6987768 0.84 KMT2A (0.44) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6986964 0.83 PSEN1 (0.42) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL1168577 0.82 PSEN1 (0.43) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6984524 0.81 KMT2A (0.45) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6986984 0.81 KMT2A (0.57) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6992491 0.78 KMT2A (0.45) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6986623 0.77 KMT2A (0.44) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL6275082 0.76 KMT2A (0.42) KMT2AHTTALDH1A1GAAHPGD
SCHEMBL7139639 0.75 KMT2A (0.48) KMT2AHTTALDH1A1GAAHPGD

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