SCHEMBL30959684

SCHEMBL30959684

COC(=O)c1nc(SC)nc(OCc2ccccc2)c1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.55
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ RNASEH1 O60930 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL31196149 0.89 PPARG (0.58) PPARGLMNAHPGDL3MBTL1TSHR
SCHEMBL30959689 0.83 PIN1 (0.46) LMNAHPGDMAPTTDP1CNR1
SCHEMBL30959691 0.83 PIN1 (0.46) LMNAHPGDMAPTTDP1CNR1
SCHEMBL30959643 0.77 PPARG (0.46) PPARGLMNAHPGDMAPTTDP1
SCHEMBL31196269 0.77 PPARG (0.46) PPARGLMNAHPGDMAPTTDP1
SCHEMBL6096342 0.74 PPARG (0.47) PPARGLMNAHPGDMAPTTDP1
SCHEMBL24785781 0.71 PPARG (0.57) PPARGLMNAHPGDMAPTTDP1
SCHEMBL24785775 0.70 PPARG (0.53) PPARGLMNAHPGDMAPTTDP1
SCHEMBL24906195 0.70 ALDH1A1 (0.49) PPARGLMNAHPGDCNR1TSHR
SCHEMBL28945977 0.70 LMNA (0.46) PPARGLMNAHPGDCNR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 — — EP disclosed
WO-2025235740-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2025-11-13 — — WO disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2024233776-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2024-11-14 — — WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
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