SCHEMBL22201580

SCHEMBL22201580

COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NCCC4C=CC=CC4)cc3)c(=O)c3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.65
LMNA P02545 3/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
RXFP1 Q9HBX9 4/20 0.58
MAPK1 P28482 1/20 0.57
TP53 P04637 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.54

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
SCHEMBL3311352 0.73 MAPT (0.60) MAPTLMNAKMT2AMEN1TP53
SCHEMBL3309193 0.72 MAPT (0.63) MAPTLMNAKMT2AMEN1TP53
SCHEMBL3309188 0.70 S1PR2 (0.66) TP53
SCHEMBL3307423 0.69 S1PR2 (0.57) MAPTLMNAKMT2AMEN1TP53
SCHEMBL22693520 0.69 S1PR2 (0.78) MAPTLMNAKMT2AMEN1RXFP1
SCHEMBL3303804 0.68 TP53 (0.54) MAPTLMNAKMT2AMEN1RXFP1
SCHEMBL3316373 0.68 TP53 (0.53) MAPTLMNAKMT2AMEN1RXFP1
SCHEMBL13332657 0.67 TP53 (0.53) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL13361508 0.67 MEN1 (0.78) MAPTLMNAKMT2AMEN1RXFP1
SCHEMBL3307491 0.66 S1PR2 (0.69) MAPTSMN1; 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 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