SCHEMBL21394987

SCHEMBL21394987

Cn1nc(C(=O)Nc2ccc(Cc3cc(C#N)ccc3F)cn2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
EP300 Q09472 1/20 0.39
GPR6 P46095 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BACE1 P56817 6/20 0.38
KCNH2 Q12809 5/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL21394995 0.88 NTRK1 (0.45) ALDH1A1MAPTL3MBTL1TSHRKDM4E
SCHEMBL21394742 0.85 MAPT (0.44) SIRT2ALDH1A1MAPTL3MBTL1GPR6
SCHEMBL21394628 0.85 ALDH1A1 (0.41) SIRT2ALDH1A1MAPTL3MBTL1EP300
SCHEMBL29357585 0.85 ALDH1A1 (0.41) SIRT2ALDH1A1MAPTL3MBTL1EP300
SCHEMBL29358376 0.84 SIRT2 (0.42) SIRT2ALDH1A1MAPTL3MBTL1EP300
SCHEMBL21394629 0.84 SIRT2 (0.42) SIRT2ALDH1A1MAPTL3MBTL1EP300
SCHEMBL21394990 0.84 DEGS1 (0.41) SIRT2TMPRSS4EP300GPR6NTRK1
SCHEMBL21395122 0.84 L3MBTL1 (0.43) SIRT2ALDH1A1MAPTL3MBTL1TMPRSS4
SCHEMBL21394578 0.83 L3MBTL1 (0.46) ALDH1A1MAPTL3MBTL1TSHRKDM4E
SCHEMBL29355468 0.83 L3MBTL1 (0.46) ALDH1A1MAPTL3MBTL1TSHRKDM4E

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