SCHEMBL23486170

SCHEMBL23486170

CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)Nc2cc(Cl)ccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.40
F11 P03951 11/20 0.39
KLKB1 P03952 8/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSL P07711 2/20 0.38
MME P08473 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
CTSS P25774 2/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL30680266 1.00 MAPT (0.40) MAPTNPSR1MEN1KMT2AS1PR1
SCHEMBL23486855 1.00 MAPT (0.40) MAPTNPSR1MEN1KMT2AS1PR1
SCHEMBL23486163 0.90 S1PR1 (0.42) S1PR1F11KLKB1
SCHEMBL23486162 0.90 S1PR1 (0.42) S1PR1F11KLKB1
SCHEMBL30680304 0.88 F11 (0.47) MAPTNPSR1MEN1KMT2AS1PR1
SCHEMBL29139611 0.88 F11 (0.47) MAPTNPSR1MEN1KMT2AS1PR1
SCHEMBL23486634 0.88 F11 (0.47) MAPTNPSR1MEN1KMT2AS1PR1
SCHEMBL23486793 0.83 MAPT (0.44) MAPTNPSR1MEN1KMT2AS1PR1
SCHEMBL30680299 0.81 MEN1 (0.41) MEN1KMT2AKDM4E
SCHEMBL23486357 0.80 FPR2 (0.42) MAPTNPSR1MEN1KMT2AS1PR1

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
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed