SCHEMBL5774422

SCHEMBL5774422

Cc1c(CC(=O)O)cccc1S(=O)(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL6356603 0.79 PKM (0.58) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6350461 0.79 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL7072097 0.77 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2961253 0.71 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL14086405 0.71 KMT2A (0.55) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL2963574 0.70 HSD11B1 (0.65) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL15915961 0.70 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL7072432 0.68 CNR1 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL7073733 0.68 MAPT (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL5749490 0.68 HDAC3 (0.45) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A

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-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed