SCHEMBL25720163

SCHEMBL25720163

COC(=O)c1ccc(CNC2CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
PARP1 P09874 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CD274 Q9NZQ7 2/20 0.40
HDAC1 Q13547 1/20 0.40
PDCD1 Q15116 1/20 0.39
CHEK1 O14757 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 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
Trifluoroacetic Acid SCHEMBL25251702 0.91 MAPK1 (0.43) MAPK1PARP1MEN1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL30449151 0.91 MAPK1 (0.43) MAPK1PARP1MEN1KMT2AL3MBTL1
SCHEMBL21088880 0.83 EPHX2 (0.39) MAPK1PARP1MEN1KMT2ACD274
SCHEMBL2644039 0.82 VNN1 (0.53) MEN1KMT2AKDM4EHDAC1CHEK1
SCHEMBL21088781 0.80 P4HTM (0.50) MAPK1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL7883731 0.78 MAPK1 (0.62) MAPK1PARP1MEN1KMT2AL3MBTL1
SCHEMBL2734359 0.77 HDAC1 (0.55) MEN1KMT2AHDAC1CHEK1RAB9A
SCHEMBL8324962 0.77 MAPK1 (0.61) MAPK1PARP1MEN1KMT2AL3MBTL1
SCHEMBL11049864 0.76 MAPK1 (0.49) MAPK1PARP1KMT2AL3MBTL1KDM4E
SCHEMBL20312849 0.75 CD274 (0.57) MAPK1PARP1L3MBTL1KDM4ECD274

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-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 WO disclosed