SCHEMBL7548524

SCHEMBL7548524

[CH2]CCCc1ncc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GPR3 P46089 1/20 0.37
EGFR P00533 1/20 0.37
PDE10A Q9Y233 3/20 0.36
CYP1A2 P05177 3/20 0.36
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
TLR8 Q9NR97 2/20 0.33
FDPS P14324 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
HTR2C P28335 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL7069013 0.82 TLR8 (0.49) KDM4EALDH1A1MAPTHPGDTLR8
SCHEMBL7074398 0.82 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL8501798 0.82 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL290894 0.81 KDM4E (0.42) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL30336491 0.81 TLR8 (0.50) TLR8
SCHEMBL4557233 0.81 TLR8 (0.50) TLR8
SCHEMBL27372800 0.81 HTR2C (0.49) HTR2C
SCHEMBL28605200 0.81 HRH1 (0.42) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL3021084 0.79 KDM4E (0.35) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL6001793 0.79 JAK2 (0.38) KDM4EGPR3EGFRPDE10ACYP1A2

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-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed