SCHEMBL27265869

SCHEMBL27265869

Cn1c(=O)[nH]c2cc(OCC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.51
▸ PSEN1 P49768 2/20 0.46
▸ PSEN2 P49810 2/20 0.46
▸ APH1B Q8WW43 2/20 0.46
▸ NCSTN Q92542 2/20 0.46
▸ APH1A Q96BI3 2/20 0.46
▸ PSENEN Q9NZ42 2/20 0.46
▸ LMNA P02545 1/20 0.43
▸ PDE3B Q13370 6/20 0.41
▸ PDE3A Q14432 6/20 0.41
▸ PDE2A O00408 4/20 0.41
▸ P2RY12 Q9H244 4/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL30939011 0.90 MAOB (0.54) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL13306474 0.81 CA12 (0.51) MAOBPDE3BPDE3APDE2AP2RY12
SCHEMBL30919751 0.79 MAPT (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7402911 0.77 MAOB (0.57) MAOBLMNAPDE3BPDE3APDE2A
SCHEMBL31601553 0.76 MAOB (0.56) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL30952863 0.76 DDB1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25206674 0.74 PTPN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12321246 0.74 MAOB (0.57) MAOBLMNAPDE3BPDE3APDE2A
SCHEMBL25318291 0.74 MAOB (0.57) MAOBLMNAPDE3BPDE3APDE2A
SCHEMBL25921785 0.74 MAOB (0.57) MAOBLMNAPDE3BPDE3APDE2A

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-2024107746-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES (US) 2024-05-23 — — WO disclosed
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