SCHEMBL21394719

SCHEMBL21394719

N#Cc1ccc(C(=O)Nc2ccc(CNc3cccc(Cl)c3)cn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
VNN1 O95497 3/20 0.45
CNR2 P34972 1/20 0.45
BACE1 P56817 3/20 0.44
P4HTM Q9NXG6 1/20 0.43
SCD O00767 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
NPC1 O15118 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
SCHEMBL21394753 0.85 SIRT2 (0.56) SIRT2TMPRSS4MEN1KMT2AVNN1
SCHEMBL29358142 0.85 SIRT2 (0.56) SIRT2TMPRSS4MEN1KMT2AVNN1
SCHEMBL21395069 0.82 SCD (0.47) SIRT2MEN1KMT2AVNN1P4HTM
SCHEMBL21395259 0.78 MEN1 (0.49) MEN1KMT2ASCDNPC1
SCHEMBL29354534 0.78 MEN1 (0.49) MEN1KMT2ASCDNPC1
SCHEMBL15819591 0.78 SIRT2 (0.55) SIRT2MEN1KMT2AVNN1NPC1
SCHEMBL29357102 0.76 TMPRSS4 (0.52) SIRT2TMPRSS4MEN1KMT2ABACE1
SCHEMBL29442822 0.76 SIRT2 (0.50) SIRT2TMPRSS4MEN1KMT2ANPC1
SCHEMBL21384381 0.76 SIRT2 (0.50) SIRT2TMPRSS4MEN1KMT2ANPC1
SCHEMBL21395196 0.76 TMPRSS4 (0.52) SIRT2TMPRSS4MEN1KMT2ABACE1

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