SCHEMBL12723716

SCHEMBL12723716

COc1cc(/C=C/c2nc3ccccc3[nH]2)ccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.66
▸ PSEN2 P49810 2/20 0.66
▸ APH1B Q8WW43 2/20 0.66
▸ NCSTN Q92542 2/20 0.66
▸ APH1A Q96BI3 2/20 0.66
▸ PSENEN Q9NZ42 2/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ MAPT P10636 7/20 0.63
▸ TP53 P04637 1/20 0.63
▸ KMT2A Q03164 10/20 0.57
▸ MEN1 O00255 9/20 0.57
▸ KDM4E B2RXH2 8/20 0.57
▸ ALDH1A1 P00352 8/20 0.57
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ HPGD P15428 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ PKM P14618 3/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ GAA P10253 5/20 0.56

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
SCHEMBL7625703 0.90 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1589647 0.90 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12723535 0.85 MAPT (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3627869 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3627865 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL710934 0.80 MAPT (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL710933 0.80 MAPT (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20106672 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31305038 0.79 NPC1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13556291 0.76 MAPT (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 — — WO disclosed
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