SCHEMBL3925664

SCHEMBL3925664

CC(C)(C)c1cccc(-c2nnc(CCO)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.50
TP53 P04637 3/20 0.46
POLB P06746 2/20 0.46
NOTUM Q6P988 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.42
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
HTT P42858 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38

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
SCHEMBL95749 0.82 NR1H4 (0.70) NR1H4TP53POLBNOTUML3MBTL1
SCHEMBL3927703 0.81 HPGD (0.59) TP53POLBNOTUML3MBTL1KDM4E
SCHEMBL28508820 0.80 KIF11 (0.53) TP53POLBNOTUML3MBTL1KIF11
SCHEMBL4947602 0.78 NPC1 (0.59) TP53NOTUML3MBTL1RAB9ANPC1
SCHEMBL10084724 0.76 KIF11 (0.49) TP53POLBNOTUML3MBTL1KIF11
SCHEMBL21303538 0.75 NPC1 (0.54) TP53NOTUML3MBTL1KDM4ERAB9A
SCHEMBL3929965 0.75 NPC1 (0.58) TP53POLBKIF11KDM4ERAB9A
SCHEMBL3938068 0.74 RAB9A (0.50) TP53NOTUML3MBTL1RAB9ANPC1
SCHEMBL6164691 0.74 CYP4F2 (0.53) POLBKDM4ERAB9ANPC1ALDH1A1
SCHEMBL25094157 0.74 KIF11 (0.50) TP53POLBNOTUML3MBTL1KIF11

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-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed