SCHEMBL21394833

SCHEMBL21394833

O=C(Nc1ccc(Cc2ccc(F)c(F)c2)cn1)c1ccc2nncn2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 18/20 0.53
MLLT3 P42568 4/20 0.52
MAOB P27338 1/20 0.47
YEATS2 Q9ULM3 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL29355448 1.00 MLLT1 (0.53) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL21394870 0.92 MAOB (0.52) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL29356686 0.92 MAOB (0.52) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL21395204 0.89 MLLT1 (0.55) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL29359205 0.89 MLLT1 (0.55) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL29357009 0.89 MLLT1 (0.54) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL21394492 0.89 MLLT1 (0.54) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL21394869 0.87 MLLT1 (0.62) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL29357058 0.87 MLLT1 (0.62) MLLT1MLLT3MAOBYEATS2NAMPT
SCHEMBL21394480 0.79 MAPT (0.44) MAOB

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed