SCHEMBL3977082

SCHEMBL3977082

CN(C)Cc1ccc(C(CO)c2cc(Cl)c3cccnc3c2OCc2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 12/20 0.40
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX12 P18054 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3980733 0.91 ADAMTS5 (0.38) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL3976222 0.86 ADAMTS5 (0.41) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL3978316 0.84 ADAMTS5 (0.46) ADAMTS5
SCHEMBL1817671 0.83 HIF1A (0.39) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL1812223 0.81 HIF1A (0.35) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL3982622 0.81 HIF1A (0.39) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL1815431 0.78 ADAMTS5 (0.39) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL14033046 0.77 KDM4E (0.36) ADAMTS5HIF1AKDM4EALOX12ALDH1A1
SCHEMBL1812739 0.76 ADAMTS5 (0.45) ADAMTS5
SCHEMBL4037188 0.74 HIF1A (0.45) ADAMTS5HIF1AKDM4EALOX12ALDH1A1

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
EP-2056823-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF Wyeth (US) 2009-05-13 EP disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 WO disclosed