SCHEMBL30648385

SCHEMBL30648385

O=C1CSc2ccc(-c3cccc(OC4COC4)n3)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ KMO O15229 2/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL30648377 0.76 EPHX2 (0.47) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL22528207 0.69 SLC6A2 (0.42) FFAR4SLC6A2SLC6A4KCNH2KMO
SCHEMBL4258367 0.67 HTT (0.59) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL30648382 0.64 CYP11B1 (0.44) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL30648408 0.63 ABL1 (0.39) CYP11B1CYP11B2MAOAMAOB
SCHEMBL30648390 0.63 ALDH1A1 (0.44) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL30648398 0.62 KIF11 (0.46) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL9732854 0.62 PDE3B (0.82) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL4748346 0.61 DHFR (0.46) CYP11B1CYP11B2HTTALDH1A1LMNA
SCHEMBL23967054 0.60 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2

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
CN-116947846-B Parallel ring derivative and preparation method and application thereof 成都硕德药业有限公司 2026-02-27 — — CN disclosed
CN-116947846-A Parallel ring derivative and preparation method and application thereof 成都苑东生物制药股份有限公司 2023-10-27 — — CN disclosed
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