SCHEMBL31453567

SCHEMBL31453567

CCc1cc(NC)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
KDM4E B2RXH2 2/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
POLB P06746 2/20 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
SCHEMBL27264472 0.82 PNMT (0.43) IDO1L3MBTL1SLC6A4CYP3A4ALDH1A1
SCHEMBL5122929 0.82 SUV39H2 (0.38) IDO1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13180239 0.78 ALDH1A1 (0.56) IDO1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL16868359 0.77 MAPT (0.53) IDO1L3MBTL1ALDH1A1EPHX2POLB
SCHEMBL14368008 0.77 RORC (0.58) L3MBTL1CYP3A4EPHX1EPHX2POLB
SCHEMBL15850424 0.77 POLB (0.38) POLB
SCHEMBL21351250 0.77 SLC18A1 (0.35) IDO1L3MBTL1CYP3A4ALDH1A1KDM4E
SCHEMBL849382 0.75 ALDH1A1 (0.38) IDO1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL8311491 0.75 TSHR (0.39) KCNH2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL856883 0.75 EPHX1 (0.52) IDO1CYP3A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed