SCHEMBL31399746

SCHEMBL31399746

COC(=O)CCS(=O)(=O)c1cccc2c(OC)nc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PRKD3 O94806 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ PRKACB P22694 1/20 0.39
▸ PRKCH P24723 1/20 0.39

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
SCHEMBL31399721 0.75 ALDH1A1 (0.41) HTTHPGDLMNANPSR1ALDH1A1
SCHEMBL31399752 0.72 APEX1 (0.44) APEX1TXNRD1SMN1; SMN2HTTHPGD
SCHEMBL31399756 0.72 APEX1 (0.44) APEX1TXNRD1SMN1; SMN2HTTHPGD
SCHEMBL31399712 0.69 APEX1 (0.42) APEX1TXNRD1SMN1; SMN2HTTHPGD
SCHEMBL12507822 0.69 ALDH1A1 (0.41) SMN1; SMN2HTTHPGDLMNANPSR1
SCHEMBL31399719 0.68 ALDH1A1 (0.48) SMN1; SMN2HTTHPGDLMNANPSR1
SCHEMBL31399731 0.67 MAPT (0.45) SMN1; SMN2HTTLMNAALDH1A1KDM4E
SCHEMBL12507656 0.66 CYP1A2 (0.44) SMN1; SMN2HTTHPGDLMNAALDH1A1
SCHEMBL12416738 0.66 ALDH1A1 (0.40) HTTHPGDLMNAALDH1A1KDM4E
SCHEMBL23406130 0.65 SMN1; SMN2 (0.57) SMN1; SMN2HTTLMNANPSR1ALDH1A1

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-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
Send feedback