SCHEMBL21361425

SCHEMBL21361425

COCCCNCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 9/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SAT1 P21673 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13050784 0.93 ALDH1A1 (0.41) ALDH1A1GAATSHRMAPK1CYP1A2
SCHEMBL22800848 0.91 KDM4E (0.42) ALDH1A1GAATSHRMAPK1CYP1A2
SCHEMBL22800802 0.91 KDM4E (0.42) ALDH1A1GAATSHRMAPK1CYP1A2
SCHEMBL26516395 0.91 KDM4E (0.42) ALDH1A1GAATSHRMAPK1CYP1A2
SCHEMBL2864906 0.90
SCHEMBL706586 0.90
SCHEMBL4159314 0.87 MAPK1 (0.48) ALDH1A1GAATSHRMAPK1CYP1A2
SCHEMBL20649049 0.83 KDM4E (0.43) ALDH1A1GAATSHRMAPK1KDM4E
SCHEMBL18359267 0.82 MEN1 (0.43) ALDH1A1TSHRKDM4EL3MBTL1RECQL
SCHEMBL18354294 0.82 MEN1 (0.46) ALDH1A1GAATSHRMAPK1CYP1A2

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-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed