SCHEMBL6988042

SCHEMBL6988042

C[C@@H](CCC(O)C1CCCC1)CNS(=O)(=O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL6989693 0.81 KMT2A (0.49) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL6989108 0.75 NPC1 (0.45) ALDH1A1HPGDKMT2ACYP2D6CYP2C9
SCHEMBL6989394 0.73 CYP2D6 (0.43) ALDH1A1HPGDKMT2ACYP2D6CYP2C9
SCHEMBL5200239 0.73 CYP2C9 (0.66) ALDH1A1HPGDCYP2D6CYP2C9CYP2C19
SCHEMBL1168887 0.70 ALDH1A1 (0.48) ALDH1A1HPGDKMT2ATDP1CYP2D6
SCHEMBL1168881 0.70 ALDH1A1 (0.48) ALDH1A1HPGDKMT2ATDP1CYP2D6
SCHEMBL1168884 0.70 ALDH1A1 (0.48) ALDH1A1HPGDKMT2ATDP1CYP2D6
SCHEMBL5243999 0.69 SLC6A9 (0.64) ALDH1A1HPGDKMT2ATDP1POLB
SCHEMBL23052529 0.68 ALDH1A1 (0.67) ALDH1A1HPGDKMT2ACYP2D6CYP2C9
SCHEMBL7915450 0.68 CYP2D6 (0.56) ALDH1A1HPGDTDP1CYP2D6CYP2C9

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