SCHEMBL29138536

SCHEMBL29138536

COc1ncccc1CCCO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 4/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KDM1A O60341 5/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
APLNR P35414 1/20 0.39
CXCR4 P61073 1/20 0.37
C3AR1 Q16581 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5780541 0.89 SLC13A5 (0.54) SLC13A5MEN1KMT2AHTR2AHTR2C
SCHEMBL31561751 0.84 SLC13A5 (0.49) SLC13A5MEN1KMT2AHTR2AHTR2C
SCHEMBL28054534 0.84 SLC13A5 (0.49) SLC13A5MEN1KMT2AHTR2AHTR2C
SCHEMBL27939661 0.83 SLC13A5 (0.48) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL675903 0.83 ALOX5 (0.49) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL18440 0.82 MEN1 (0.60) SLC13A5MEN1KMT2AHTR2AHTR2C
SCHEMBL31365171 0.82 MEN1 (0.60) SLC13A5MEN1KMT2AHTR2AHTR2C
SCHEMBL19303145 0.81 ALOX5 (0.47) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL19102189 0.81 ALOX5 (0.47) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL8234951 0.81 SLC13A5 (0.47) SLC13A5MEN1KMT2AHTR2AHTR2C

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-119930620-A Tetrafused ring compound, preparation method, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-06 CN disclosed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed