SCHEMBL1829342

SCHEMBL1829342

CC(C)(C)OC(=O)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
RBP4 P02753 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 3/20 0.38
AOC1 P19801 1/20 0.38
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.37
RIPK1 Q13546 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL28188152 0.84 TP53 (0.39) TP53SMN1; SMN2GAARBP4NPC1
SCHEMBL692343 0.79
SCHEMBL5163162 0.78 TP53 (0.40) TP53SMN1; SMN2GAARBP4NPC1
Bromide SCHEMBL28919507 0.77 TP53 (0.51) TP53SMN1; SMN2GAANPC1RAB9A
Water SCHEMBL5369991 0.77 TP53 (0.51) TP53SMN1; SMN2GAANPC1RAB9A
Hydrochloric Acid SCHEMBL27472182 0.77 TP53 (0.51) TP53SMN1; SMN2GAANPC1RAB9A
SCHEMBL28300836 0.75
SCHEMBL8908834 0.75 TP53 (0.43) TP53SMN1; SMN2GAARBP4NPC1
SCHEMBL9016443 0.74 TP53 (0.42) TP53SMN1; SMN2GAANPC1RAB9A
SCHEMBL1720771 0.74 KDM4E (0.46) TP53SMN1; SMN2GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043844-B TRK kinase inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2024-05-17 CN disclosed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
WO-2024046420-A1 FUSED BICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2024-03-07 WO disclosed
WO-2024032598-A1 TGF-β INHIBITOR COMPOUND AND USE THEREOF 河南迈英诺医药科技有限公司 2024-02-15 WO disclosed
WO-2024032589-A1 TGF-β INHIBITOR COMPOUND AND USE THEREOF 河南迈英诺医药科技有限公司 2024-02-15 WO disclosed
CN-117534686-A TGF-beta inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2024-02-09 CN disclosed
CN-117534675-A TGF-beta inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2024-02-09 CN disclosed
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed
EP-4096668-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP disclosed
CN-113227068-A GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2021-08-06 CN disclosed
CN-107849047-B Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-01-15 CN disclosed
WO-2020054788-A1 IMIDAZOPYRIDINONE COMPOUND キッセイ薬品工業株式会社 2020-03-19 WO disclosed
CN-107849047-A Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2018-03-27 CN disclosed
EP-2315768-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB Pharma, S.A. (BE) 2011-05-04 EP disclosed
WO-2009153554-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-12-23 WO disclosed