SCHEMBL6986149

SCHEMBL6986149

O=S(=O)(NC[C@H](O)C1CCC(NCc2ccccn2)CC1)c1ccc(Cl)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6989621 0.85 HPGD (0.44) GAAHPGDALOX15L3MBTL1CYP1A2
SCHEMBL6982406 0.84 LMNA (0.47) GAATSHRHPGDALOX15L3MBTL1
SCHEMBL1169805 0.83 HPGD (0.41) GAATSHRHPGDALOX15L3MBTL1
SCHEMBL6988935 0.83 CYP2C19 (0.61) TSHRHPGDALOX15L3MBTL1CYP1A2
SCHEMBL6986623 0.81 KMT2A (0.44) GAATSHRHPGDPSEN1PSEN2
SCHEMBL6986984 0.80 KMT2A (0.57) GAATSHRHPGDCYP1A2CYP3A4
SCHEMBL7139639 0.79 KMT2A (0.48) GAATSHRHPGDPSEN1PSEN2
SCHEMBL6992491 0.79 KMT2A (0.45) GAATSHRHPGDPSEN1PSEN2
SCHEMBL6989701 0.79 KMT2A (0.41) GAATSHRHPGDCYP1A2CYP3A4
SCHEMBL6984524 0.78 KMT2A (0.45) GAATSHRHPGDCYP1A2CYP3A4

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