SCHEMBL8424982

SCHEMBL8424982

CN(C)CCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccoc3)[nH]c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 7/20 0.49
▸ MAOB P27338 5/20 0.47
▸ MAOA P21397 2/20 0.47
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ TNKS O95271 1/20 0.44
▸ AURKA O14965 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41

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
SCHEMBL8424976 1.00 SERPINE1 (0.49) SERPINE1MAOBMAOABCHEACHE
SCHEMBL8428374 0.94 SERPINE1 (0.51) SERPINE1MAOBMAOAHRH3
SCHEMBL8428368 0.94 SERPINE1 (0.51) SERPINE1MAOBMAOAHRH3
SCHEMBL9015027 0.91 SERPINE1 (0.56) SERPINE1MAOBMAOABCHEACHE
SCHEMBL9015020 0.91 SERPINE1 (0.56) SERPINE1MAOBMAOABCHEACHE
Hydrochloric Acid SCHEMBL8494449 0.90 SERPINE1 (0.55) SERPINE1MAOBMAOABCHEACHE
Hydrochloric Acid SCHEMBL8494465 0.90 SERPINE1 (0.55) SERPINE1MAOBMAOABCHEACHE
SCHEMBL6375596 0.86 SERPINE1 (0.65) SERPINE1MAOBMAOABCHEACHE
SCHEMBL30388925 0.86 SERPINE1 (0.65) SERPINE1MAOBMAOABCHEACHE
SCHEMBL8494433 0.86 SERPINE1 (0.65) SERPINE1MAOBMAOABCHEACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO claimed
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 — — US disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
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