SCHEMBL28659737

SCHEMBL28659737

COC(=O)c1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CES1 P23141 1/20 0.35
TP53 P04637 1/20 0.35
FGFR1 P11362 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 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
SCHEMBL1562665 0.84 TSHR (0.42) TSHRMAPTKDM4ERAB9AGAA
SCHEMBL3156953 0.75 KDM4E (0.46) KCNN4TSHRMAPTKDM4EMAPK1
SCHEMBL1564248 0.75 KCNN4 (0.40) KCNN4TSHRMAPTKDM4ETDP1
SCHEMBL687803 0.70 NOTUM (0.44) KCNN4TSHRMAPTKDM4EGAA
SCHEMBL8000263 0.70 TP53 (0.38) TSHRMAPTKDM4EMAPK1TDP1
SCHEMBL3152689 0.70 MEN1 (0.45) KCNN4TSHRMAPTKDM4EMAPK1
SCHEMBL5269393 0.69 TSHR (0.47) KCNN4TSHRMAPTKDM4EMAPK1
SCHEMBL7473643 0.69 KDM4E (0.41) KCNN4TSHRMAPTKDM4EMAPK1
SCHEMBL1564264 0.69 ALDH1A1 (0.42) KCNN4TSHRMAPTKDM4EGAA
SCHEMBL1829222 0.69 SIRT2 (0.47) KCNN4TSHRMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743447-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
EP-4743178-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
WO-2025016906-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-01-23 WO disclosed
WO-2025016909-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-01-23 WO disclosed
CN-113683574-B Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2023-11-17 CN disclosed
CN-113683574-A Method for synthesizing 1-methyl-1H-1, 2, 4-triazole-3-methyl formate 上海晋鲁医药科技有限公司 2021-11-23 CN disclosed