SCHEMBL25438118

SCHEMBL25438118

Cc1cc(S(C)(=O)=O)c(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ DHODH Q02127 11/20 0.43
▸ PTGFR P43088 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL25439559 0.89 GAA (0.47) PDE10ATSHRDHODHPTGFRMEN1
SCHEMBL25438115 0.73 ALDH1A1 (0.45) PDE10ATSHRDHODHPTGFRALDH1A1
SCHEMBL25439558 0.69 BRD4 (0.44) DHODHMEN1KMT2AALDH1A1HPGD
SCHEMBL13780199 0.68 TSHR (0.53) PDE10ATSHRDHODHMEN1KMT2A
SCHEMBL4382163 0.68 RAB9A (0.49) PDE10ATSHRDHODHMEN1KMT2A
SCHEMBL27743607 0.68 DHODH (0.44) TSHRDHODHPTGFRMEN1KMT2A
SCHEMBL6016352 0.67 ADORA3 (0.48) PDE10ATSHRDHODHMEN1KMT2A
SCHEMBL25437332 0.67 MEN1 (0.48) PDE10ATSHRDHODHMEN1KMT2A
SCHEMBL5532405 0.66 ALDH1A1 (0.54) PDE10ATSHRDHODHMEN1KMT2A
SCHEMBL11376424 0.66 PIN1 (0.45) PDE10ATSHRDHODHALDH1A1HPGD

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-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 — — WO disclosed
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