SCHEMBL23466596

SCHEMBL23466596

CC(C)(C)OC(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCC(=O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.40
KLKB1 P03952 6/20 0.40
MAPT P10636 3/20 0.40
IDH2 P48735 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB1 P05556 3/20 0.37
ITGA4 P13612 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
THRB P10828 1/20 0.37
MMP1 P03956 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL23466593 1.00 F11 (0.40) F11KLKB1MAPTIDH2ALDH1A1
SCHEMBL28974345 0.90 ALDH1A1 (0.39) MAPTIDH2ALDH1A1PKMTSHR
SCHEMBL23466576 0.90 F11 (0.45) F11KLKB1MAPT
SCHEMBL30680254 0.90 F11 (0.45) F11KLKB1MAPT
SCHEMBL28974594 0.90 F11 (0.45) F11KLKB1MAPT
SCHEMBL23466417 0.87 F11 (0.40) F11KLKB1MAPTITGB1ITGA4
SCHEMBL23466416 0.87 F11 (0.40) F11KLKB1MAPTITGB1ITGA4
SCHEMBL23486827 0.87 F11 (0.41) F11KLKB1MAPTIDH2ALDH1A1
SCHEMBL23466410 0.87 F11 (0.41) F11KLKB1MAPTIDH2ALDH1A1
SCHEMBL30680278 0.87 F11 (0.41) F11KLKB1MAPTIDH2ALDH1A1

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 3 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
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 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