SCHEMBL5328041

SCHEMBL5328041

O=Cc1ccc(-c2ccccn2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.51
KDM4E B2RXH2 4/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 1/20 0.48
ERN1 O75460 2/20 0.43
BRD4 O60885 2/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
METAP1 P53582 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 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
SCHEMBL5327257 0.83 KDM1A (0.51) KDM1AKDM4ERAB9ABRD4BRD2
SCHEMBL4725122 0.82 KDM4E (0.44) KDM1AKDM4EPTGS2RAB9AERN1
SCHEMBL4529792 0.79 KDM1A (0.43) KDM1AKDM4ERAB9AMETAP1LMNA
SCHEMBL4025388 0.78 ALDH1A1 (0.51) KDM4ERAB9AERN1LMNACYP1A2
Dipyridyl SCHEMBL28723689 0.77 KDM4E (0.59) KDM1AKDM4ERAB9AMETAP1LMNA
SCHEMBL6068182 0.77 KDM1A (0.54) KDM1AKDM4ERAB9ABRD4BRD2
SCHEMBL30900828 0.77 KDM1A (0.54) KDM1AKDM4ERAB9ABRD4BRD2
SCHEMBL20591288 0.76 KDM4E (0.54) KDM1AKDM4ERAB9ABRD4BRD2
SCHEMBL15485572 0.76 KDM4E (0.54) KDM1AKDM4ERAB9ABRD4BRD2
SCHEMBL31039988 0.76 L3MBTL1 (0.42) KDM1AKDM4EPTGS2RAB9APOLB

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
WO-2007123910-A2 COPPER-MEDIATED FUNCTIONALIZATION OF ARYL C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2007-11-01 WO disclosed
WO-2007123910-A2 COPPER-MEDIATED FUNCTIONALIZATION OF ARYL C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2007-11-01 WO disclosed