SCHEMBL21394870

SCHEMBL21394870

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
MLLT1 Q03111 17/20 0.51
MLLT3 P42568 4/20 0.49
YEATS2 Q9ULM3 1/20 0.44
NAMPT P43490 1/20 0.41

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
SCHEMBL29356686 1.00 MAOB (0.52) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL21394833 0.92 MLLT1 (0.53) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL29355448 0.92 MLLT1 (0.53) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL21394869 0.88 MLLT1 (0.62) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL29357058 0.88 MLLT1 (0.62) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL21395204 0.87 MLLT1 (0.55) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL29359205 0.87 MLLT1 (0.55) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL21394492 0.86 MLLT1 (0.54) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL29357009 0.86 MLLT1 (0.54) MAOBMLLT1MLLT3YEATS2NAMPT
SCHEMBL21394761 0.80 MAOB (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
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