SCHEMBL9830636

SCHEMBL9830636

CC(C)(OCc1cc(-c2ccc(Cl)cc2)no1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
NOTUM Q6P988 2/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 8/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 6/20 0.52
MEN1 O00255 5/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 3/20 0.50
JAK2 O60674 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SLC16A3 O15427 1/20 0.47
SLC16A1 P53985 1/20 0.47
MCTS1 Q9ULC4 1/20 0.47
NPC1 O15118 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL9831414 0.89 SMN1; SMN2 (0.56) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL9832622 0.87 POLB (0.56) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL9830377 0.86 POLB (0.55) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL9831529 0.81 POLB (0.47) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL9832101 0.77 POLB (0.53) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL9829861 0.77 L3MBTL1 (0.49) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL9830325 0.75 POLB (0.45) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL3434027 0.73 L3MBTL1 (0.60) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL13220766 0.73 NOTUM (0.64) POLBNOTUML3MBTL1MAPTSMN1; SMN2
SCHEMBL189828 0.72 L3MBTL1 (0.61) POLBNOTUML3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP claimed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US claimed
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed
EP-0220573-A1 Heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1987-05-06 EP disclosed