SCHEMBL6399281

SCHEMBL6399281

O=C(O)c1ccccc1COCCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HRH3 Q9Y5N1 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPY1R P25929 1/20 0.51
ABCB1 P08183 6/20 0.51
KCNH2 Q12809 1/20 0.49
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL6400429 0.99 KDM4E (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27466067 0.87 ABCB1 (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11336084 0.80 MAPT (0.76) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21741655 0.80 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL4564517 0.76 TSHR (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27398691 0.76 TP53 (0.48) KMT2AKDM4EALDH1A1
SCHEMBL6393227 0.76 TP53 (0.48) MEN1KMT2AKDM4EALDH1A1
SCHEMBL27540109 0.76 LTA4H (0.72) KDM4EALDH1A1SMN1; SMN2HRH3L3MBTL1
SCHEMBL4240723 0.76 LTA4H (0.56) KDM4EALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL22440218 0.75 LTA4H (0.77) KDM4EALDH1A1SMN1; SMN2HRH3L3MBTL1

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