SCHEMBL6400429

SCHEMBL6400429

O=C(O)c1ccccc1COCCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ABCB1 P08183 2/20 0.49
TEAD3 Q99594 1/20 0.49
NPY1R P25929 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48

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
SCHEMBL6399281 0.99 MEN1 (0.54) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL27466067 0.88 ABCB1 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21741655 0.78 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL11336084 0.78 MAPT (0.76) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL27398691 0.77 TP53 (0.48) KDM4EALDH1A1KMT2AHTT
SCHEMBL4564517 0.77 TSHR (0.54) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6393227 0.77 TP53 (0.48) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL22440218 0.76 LTA4H (0.77) KDM4EALDH1A1SMN1; SMN2L3MBTL1HRH3
SCHEMBL6152322 0.76 LTA4H (0.51) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL27870368 0.76 TSHR (0.55) KDM4EALDH1A1L3MBTL1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
EP-1159263-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000050391-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF MERCK & CO., INC. (US) 2000-08-31 WO disclosed