SCHEMBL28296826

SCHEMBL28296826

O=[N+]([O-])c1cc(-c2cccnc2)ccc1NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.52
WNT1 P04628 1/20 0.51
DYRK1A Q13627 1/20 0.51
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4039191 0.77 MAPT (0.66) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL22456590 0.77 MAPT (0.66) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL737318 0.77 MEN1 (0.62) CYP1A2CYP2D6MAPTPOLBPKM
SCHEMBL2711024 0.76 MAPT (0.58) CYP1A2MAPTPOLBKDM4ELMNA
SCHEMBL26234109 0.76 MAPT (0.64) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL3243091 0.75 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CLK4MAPT
SCHEMBL1958872 0.75 MAPT (0.62) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL29482111 0.75 MAPT (0.62) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL5247238 0.75 RAB9A (0.70) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL22455983 0.75 MAPT (0.62) MAPTPOLBPKMRAB9AKDM4E

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
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed