SCHEMBL31013971

SCHEMBL31013971

CN(C)CCOc1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ ABHD6 Q9BV23 1/20 0.48
▸ TRAP1 Q12931 5/20 0.40
▸ HSP90B1 P14625 4/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ GPR119 Q8TDV5 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36

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
SCHEMBL24913916 0.92 ESR2 (0.45) MGLLABHD6TRAP1HSP90B1ESR2
SCHEMBL30156757 0.92 ESR2 (0.45) MGLLABHD6TRAP1HSP90B1ESR2
SCHEMBL31013918 0.85 MGLL (0.45) MGLLABHD6TRAP1HSP90B1KDM4E
SCHEMBL30550460 0.82 HDAC1 (0.44) ABHD6ESR2NR1H2KDM4EALDH1A1
SCHEMBL29069135 0.82 HDAC1 (0.44) ABHD6ESR2NR1H2KDM4EALDH1A1
SCHEMBL3100497 0.82 ABHD6 (0.69) MGLLABHD6TRAP1HSP90B1ESR2
SCHEMBL30789204 0.80 ESR2 (0.46) ABHD6ESR2NR1H2GPR119KDM4E
SCHEMBL17463409 0.80 ESR2 (0.46) ESR2NR1H2GPR119KDM4E
SCHEMBL30156709 0.80 ESR2 (0.46) ABHD6ESR2NR1H2GPR119KDM4E
SCHEMBL19357854 0.78 HDAC1 (0.42) ABHD6ESR2NR1H2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 — — EP disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 — — WO disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
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