SCHEMBL5502707

SCHEMBL5502707

C[C@@H](CCC(O)(c1cccc2ccccc12)c1cccc2ccccc12)CNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACP3 P15309 1/20 0.40
XBP1 P17861 1/20 0.40
GAA P10253 4/20 0.39
TP53 P04637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6986182 0.83 KMT2A (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3186738 0.72 CYP1A2 (0.45) ALDH1A1ACP3GAACYP1A2CYP3A4
SCHEMBL5498984 0.71 CA1 (0.60) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL6987172 0.67 KMT2A (0.42) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL13668160 0.67 CA1 (0.75) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL7408520 0.65 MMP7 (0.53) MEN1KMT2AGAA
SCHEMBL8883022 0.65 NQO2 (0.61) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL7202401 0.65 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6323694 0.64 CA1 (0.71) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL20893266 0.63 SMN1; SMN2 (0.61) CA1CA2KMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP disclosed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP disclosed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 WO disclosed