SCHEMBL31472052

SCHEMBL31472052

CCOC(=O)c1cc2cc(C3=CCOC(C)(C)C3)sc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.38
▸ KDM4E B2RXH2 11/20 0.38
▸ HPGD P15428 10/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 5/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MMP13 P45452 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL31424468 0.77 MMP13 (0.55) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL31424332 0.77 MMP13 (0.55) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL31424367 0.76 KDM4E (0.45) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL31472245 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL6625289 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL23160857 0.70 KDM4E (0.48) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL1244777 0.69 ALOX15 (0.55) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL1244790 0.69 RAB9A (0.50) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL1244092 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL6629825 0.67 KDM4E (0.48) ALDH1A1KDM4EHPGDRAB9AHSD17B10

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-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 — — WO disclosed
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