SCHEMBL6988935

SCHEMBL6988935

O=S(=O)(NC[C@H](O)C1CCC(NCc2cccnc2)CC1)c1ccc(Cl)s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 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
SCHEMBL6982406 0.89 LMNA (0.47) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL6989621 0.89 HPGD (0.44) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL1168605 0.84 CYP1A2 (0.56) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL6986149 0.83 GAA (0.45) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL6986623 0.80 KMT2A (0.44) ALDH1A1MAPTHTTSMN1; SMN2HPGD
SCHEMBL6986984 0.79 KMT2A (0.57) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL7139639 0.79 KMT2A (0.48) ALDH1A1MAPTHTTSMN1; SMN2HPGD
SCHEMBL6992491 0.78 KMT2A (0.45) ALDH1A1MAPTHTTSMN1; SMN2HPGD
SCHEMBL6989701 0.78 KMT2A (0.41) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL6984524 0.77 KMT2A (0.45) CYP2C19CYP1A2CYP3A4CYP2C9ALDH1A1

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