SCHEMBL21394869

SCHEMBL21394869

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1ccc2nncn2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 15/20 0.62
MAOB P27338 1/20 0.50
MLLT3 P42568 4/20 0.46
YEATS2 Q9ULM3 1/20 0.45
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 1/20 0.43
F10 P00742 1/20 0.42

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
SCHEMBL29357058 1.00 MLLT1 (0.62) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL29357009 0.89 MLLT1 (0.54) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL21394492 0.89 MLLT1 (0.54) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL21394870 0.88 MAOB (0.52) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL29356686 0.88 MAOB (0.52) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL21394833 0.87 MLLT1 (0.53) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL29355448 0.87 MLLT1 (0.53) MLLT1MAOBMLLT3YEATS2NAMPT
SCHEMBL21394518 0.86 NAMPT (0.52) MLLT1MAOBNAMPTALDH1A1F10
SCHEMBL29358541 0.86 NAMPT (0.52) MLLT1MAOBNAMPTALDH1A1F10
SCHEMBL21394485 0.83 MLLT1 (0.57) MLLT1MAOBMLLT3

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