SCHEMBL20290752

SCHEMBL20290752

CNC(=O)[C@@](N)(c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL20290135 1.00 KIF11 (0.44) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL20268404 0.85 ADRA2A (0.43) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL20268402 0.85 ADRA2A (0.43) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL2482093 0.82 KIF11 (0.49) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL28091404 0.80 KMT2A (0.52) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL20290131 0.78 HDAC4 (0.44) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL3739537 0.74 HDAC3 (0.50) KIF11KMT2AMAPTHDAC3HDAC4
SCHEMBL20290768 0.73 NR3C2 (0.39) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL20290132 0.73 NR3C2 (0.39) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL25968736 0.73 HDAC3 (0.44) KIF11KMT2ANPC1RAB9AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018109496-A2 UNNATURAL AMINO ACIDS THE UNIVERSITY OF BRISTOL (GB) 2018-06-21 WO disclosed