SCHEMBL21394728

SCHEMBL21394728

CC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
F10 P00742 8/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
KLKB1 P03952 2/20 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
SCHEMBL22479547 0.94 ALDH1A1 (0.50) ALDH1A1LMNAP4HTMF10POLB
SCHEMBL21395090 0.90 ALDH1A1 (0.51) ALDH1A1LMNAP4HTMF10POLB
SCHEMBL21384159 0.89 ALDH1A1 (0.47) ALDH1A1LMNAP4HTMF10HDAC3
SCHEMBL21394644 0.88 ALDH1A1 (0.47) ALDH1A1LMNAF10MEN1KMT2A
SCHEMBL29358525 0.86 ALDH1A1 (0.47) ALDH1A1LMNAP4HTMF10HDAC3
SCHEMBL21394767 0.86 ALDH1A1 (0.47) ALDH1A1LMNAP4HTMF10HDAC3
SCHEMBL21394702 0.86 MAOB (0.44) ALDH1A1MAOAMAOBF10POLB
SCHEMBL21394700 0.84 ALDH1A1 (0.46) ALDH1A1LMNAF10MEN1KMT2A
SCHEMBL21394466 0.84 ALDH1A1 (0.48) ALDH1A1LMNAP4HTMF10HDAC3
SCHEMBL29356935 0.84 ALDH1A1 (0.48) ALDH1A1LMNAP4HTMF10HDAC3

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