SCHEMBL27325974

SCHEMBL27325974

COC(=O)N[C@H]1C[C@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
EPHX1 P07099 5/20 0.36
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
BTK Q06187 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.33
F2R P25116 1/20 0.32
G6PD P11413 1/20 0.32
NAAA Q02083 1/20 0.32
PYGB P11216 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5949330 1.00 TSHR (0.39) TSHREPHX1GLAMAPTBTK
SCHEMBL15014513 0.85 EPHX1 (0.43) TSHREPHX1MAPTBTKALDH1A1
SCHEMBL23379074 0.85 EPHX1 (0.43) TSHREPHX1MAPTBTKALDH1A1
SCHEMBL12425824 0.85 EPHX1 (0.43) TSHREPHX1MAPTBTKALDH1A1
SCHEMBL14864808 0.85 EPHX1 (0.43) TSHREPHX1MAPTBTKALDH1A1
SCHEMBL8156249 0.82 TSHR (0.39) TSHREPHX1
SCHEMBL12437109 0.79 MAPT (0.41) TSHREPHX1GLAMAPTBTK
SCHEMBL23772481 0.79 BTK (0.47) TSHREPHX1GLAMAPTBTK
SCHEMBL22722033 0.79 MAPT (0.41) TSHREPHX1GLAMAPTBTK
SCHEMBL23917856 0.79 BTK (0.47) TSHREPHX1GLAMAPTBTK

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
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed