SCHEMBL21395069

SCHEMBL21395069

N#Cc1ccc(C(=O)Nc2ccc(CNc3cccc(Cl)c3)cn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.47
P4HTM Q9NXG6 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
ALDH1A1 P00352 1/20 0.44
F10 P00742 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
VNN1 O95497 2/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CHEK1 O14757 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL29357578 0.85 SIRT2 (0.47) P4HTMSIRT2ALDH1A1F10MEN1
SCHEMBL21394834 0.85 SIRT2 (0.47) P4HTMSIRT2ALDH1A1F10MEN1
SCHEMBL21395188 0.83 MEN1 (0.57) SIRT2ALDH1A1F10MEN1KMT2A
SCHEMBL21394719 0.82 SIRT2 (0.53) SCDP4HTMSIRT2MEN1KMT2A
SCHEMBL29353894 0.78 SCD (0.48) SCDALDH1A1F10MEN1KMT2A
SCHEMBL21394876 0.78 SCD (0.48) SCDALDH1A1F10MEN1KMT2A
SCHEMBL3646298 0.75 P4HTM (0.62) P4HTMALDH1A1MEN1KMT2AVNN1
SCHEMBL21394997 0.75 KCNQ3 (0.57) SCDSIRT2ALDH1A1F10KCNQ3
SCHEMBL21394396 0.74 KCNQ3 (0.47) ALDH1A1KCNQ3KCNQ2
SCHEMBL21395259 0.73 MEN1 (0.49) SCDALDH1A1F10MEN1KMT2A

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