SCHEMBL21394938

SCHEMBL21394938

N#Cc1ccc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BACE1 P56817 7/20 0.42
KCNH2 Q12809 4/20 0.42
APP P05067 1/20 0.42
BACE2 Q9Y5Z0 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
SCHEMBL21395185 0.96 TMPRSS4 (0.49) TMPRSS4SIRT2MEN1KMT2ABACE1
SCHEMBL21395016 0.89 CHEK1 (0.40) TMPRSS4SIRT2
SCHEMBL21395002 0.89 TMPRSS4 (0.41) TMPRSS4SIRT2
SCHEMBL29442822 0.88 SIRT2 (0.50) TMPRSS4SIRT2MEN1KMT2A
SCHEMBL21384381 0.88 SIRT2 (0.50) TMPRSS4SIRT2MEN1KMT2A
SCHEMBL21394745 0.85 TMPRSS4 (0.39) TMPRSS4SIRT2
SCHEMBL29357585 0.85 ALDH1A1 (0.41) SIRT2MEN1KMT2A
SCHEMBL21395196 0.84 TMPRSS4 (0.52) TMPRSS4SIRT2MEN1KMT2ABACE1
SCHEMBL21394959 0.84 TMPRSS4 (0.49) TMPRSS4SIRT2MEN1KMT2ABACE1
SCHEMBL29357102 0.84 TMPRSS4 (0.52) TMPRSS4SIRT2MEN1KMT2ABACE1

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