SCHEMBL31038868

SCHEMBL31038868

COc1ccc(CSc2ccc3nnn(Cc4ccccc4)c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 6/20 0.59
▸ GRM2 Q14416 2/20 0.48
▸ SLC9A1 P19634 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAOB P27338 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HCAR3 P49019 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ APP P05067 1/20 0.43

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
SCHEMBL31038875 1.00 PTK2 (0.59) PTK2GRM2SLC9A1ALDH1A1TSHR
SCHEMBL19911522 0.83 GRM2 (0.60) PTK2GRM2SLC9A1ALDH1A1HTT
SCHEMBL30602781 0.77 CNR2 (0.53) PTK2ALDH1A1TSHRMAOBAPP
SCHEMBL19911510 0.76 HCAR3 (0.65) PTK2GRM2SLC9A1ALDH1A1HTT
SCHEMBL2433694 0.73 APP (0.69) ALDH1A1TSHRLMNAMAOBHTT
SCHEMBL25702660 0.72 APP (0.52) ALDH1A1TSHRLMNAMAOBHTT
SCHEMBL21991433 0.72 HCAR3 (0.54) PTK2GRM2SLC9A1ALDH1A1TSHR
SCHEMBL30991739 0.72 APP (0.52) ALDH1A1TSHRLMNAMAOBHTT
SCHEMBL19911496 0.71 GRM2 (0.66) PTK2GRM2SLC9A1ALDH1A1HCAR3
SCHEMBL29248217 0.70 PTK2 (0.48) PTK2ALDH1A1TSHRLMNAMAOB

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
EP-4654964-A1 SULFONE-1H-PYRROLE-2-CARBOXAMIDE INHIBITORS OF SARS-COV-2 NSP14 METHYLTRANSFERASE AND DERIVATIVES THEREOF The Rockefeller University (US) 2025-12-03 — — EP disclosed
WO-2024158875-A1 SULFONE-1H-PYRROLE-2-CARBOXAMIDE INHIBITORS OF SARS-COV-2 NSP14 METHYLTRANSFERASE AND DERIVATIVES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2024-08-02 — — WO disclosed
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