SCHEMBL22201333

SCHEMBL22201333

O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
ALPG P10696 1/20 0.56
MCL1 Q07820 1/20 0.56
PGR P06401 4/20 0.54
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL22201332 0.81 PGR (0.64) PGRSMN1; SMN2POLBTSHR
SCHEMBL9649977 0.73 MAPT (0.48) MAPTSMN1; SMN2TSHRTP53
SCHEMBL15142775 0.73 POLB (0.59) POLB
SCHEMBL28128590 0.70 HSP90AA1 (0.64) HSP90AA1HSP90AB1SMN1; SMN2KDM4EPOLB
SCHEMBL24031105 0.69 HDAC1 (0.70) PGRTP53
SCHEMBL3800114 0.69 CXCR4 (0.54) TP53NPSR1TDP1
SCHEMBL14515145 0.68 CBX7 (0.53)
SCHEMBL9776542 0.68 MAPT (0.71) MAPTKDM4EHSD17B10POLBTSHR
SCHEMBL6362495 0.67 PGR (0.71) PGRKDM4EHSD17B10POLBTSHR
SCHEMBL5257605 0.67 CYP3A4 (0.50) SMN1; SMN2KDM4EHSD17B10TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed