SCHEMBL6989394

SCHEMBL6989394

C[C@@H](CCC(O)c1ccc(N(C)C)cc1)CNS(=O)(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.39
LIMK2 P53671 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6989207 0.82 KMT2A (0.45) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL6989108 0.78 NPC1 (0.45) CYP2D6CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5501851 0.78 LMNA (0.57) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL6988042 0.73 ALDH1A1 (0.48) CYP2D6CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1169478 0.72 ALDH1A1 (0.43) CYP2D6CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1169479 0.72 ALDH1A1 (0.43) CYP2D6CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1169481 0.72 ALDH1A1 (0.43) CYP2D6CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5200239 0.71 CYP2C9 (0.66) CYP2D6CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL6990063 0.70 KMT2A (0.43) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL6990380 0.67 KMT2A (0.40) CYP2C9CYP2C19MEN1KMT2AALDH1A1

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