SCHEMBL8424648

SCHEMBL8424648

COc1ccc(C=c2[nH]c(=O)c(=Cc3cc4ccccc4[nH]3)[nH]c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.67
▸ PADI4 Q9UM07 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ KDM4E B2RXH2 6/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CYP2A6 P11509 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ PDGFRA P16234 2/20 0.42

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
SCHEMBL8424640 1.00 SERPINE1 (0.67) SERPINE1PADI4MAOBKDM4EMAPT
SCHEMBL6373498 0.83 SERPINE1 (0.76) SERPINE1PADI4KDM4EMAPTALDH1A1
SCHEMBL6373495 0.83 SERPINE1 (0.76) SERPINE1PADI4KDM4EMAPTALDH1A1
SCHEMBL6372616 0.81 SERPINE1 (1.00) SERPINE1MAPTNPC1RAB9A
SCHEMBL6372620 0.81 SERPINE1 (1.00) SERPINE1MAPTNPC1RAB9A
SCHEMBL14386989 0.77 PADI4 (0.57) PADI4MAOBKDM4EMAPTNPC1
SCHEMBL8426392 0.74 SERPINE1 (0.65) SERPINE1PADI4KDM4EMAPTNPC1
SCHEMBL8426389 0.74 SERPINE1 (0.65) SERPINE1PADI4KDM4EMAPTNPC1
SCHEMBL6379176 0.74 SERPINE1 (0.74) SERPINE1MAPTNPC1RAB9AALDH1A1
SCHEMBL6379183 0.74 SERPINE1 (0.74) SERPINE1MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP claimed
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
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
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