SCHEMBL29100724

SCHEMBL29100724

CC(C)(C)c1ncccc1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
PLAU P00749 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PLCG1 P19174 1/20 0.36
P2RY1 P47900 2/20 0.36
TNF P01375 1/20 0.35
KLF5 Q13887 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 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
SCHEMBL4230139 0.81 THRB (0.43) LMNAL3MBTL1P2RY1MEN1KMT2A
SCHEMBL29099664 0.80 CYP3A4 (0.38) PLAULMNAL3MBTL1TNFKLF5
SCHEMBL7626781 0.77 MKNK1 (0.46) PLAULMNAMKNK1MKNK2MEN1
SCHEMBL29112210 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL28547792 0.76 ALDH1A1 (0.54) MAPK1LMNAMEN1KMT2AKDM4E
SCHEMBL5206688 0.75 RAB9A (0.41) PLAULMNAMKNK1MKNK2MEN1
SCHEMBL1767046 0.75 NAPRT (0.48) PLAULMNAMKNK1MKNK2MEN1
SCHEMBL19475045 0.75 MEN1 (0.39) PLAULMNAL3MBTL1MKNK1MKNK2
SCHEMBL29078290 0.75 ALDH1A1 (0.54) MAPK1LMNAL3MBTL1MEN1KMT2A
SCHEMBL3694162 0.75 PLAU (0.39) PLAULMNAL3MBTL1MKNK1MKNK2

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-117881677-A Fused isoxazolyl compounds as KAT6Aw inhibitors 奥瑞基尼肿瘤有限公司 2024-04-12 CN disclosed
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 CN disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed