SCHEMBL9837155

SCHEMBL9837155

Clc1ncnc2c1CCCc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
BCHE P06276 2/20 0.48
DRD4 P21917 1/20 0.46
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPY5R Q15761 3/20 0.40
HRH4 Q9H3N8 3/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS3 P29474 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7130469 0.90 DYRK1A (0.66) DYRK1ABCHEDRD4HRH4KDM4E
SCHEMBL15759147 0.81 DYRK1A (0.54) DYRK1ABCHEDRD4CYP2A6MAOA
SCHEMBL4875418 0.77 BCHE (0.55) BCHEDRD4CYP2A6MAOAMAOB
SCHEMBL10202570 0.77 DYRK1A (0.50) DYRK1ABCHEDRD4CYP2A6MAOA
SCHEMBL10263754 0.77 DYRK1A (0.50) DYRK1ABCHEDRD4CYP2A6MAOA
SCHEMBL3341967 0.75 BCHE (0.59) DYRK1ABCHEDRD4CYP2A6MAOA
SCHEMBL7119156 0.72 MEN1 (0.42) DYRK1ANPY5RKDM4EALDH1A1CYP19A1
SCHEMBL606671 0.72 HRH4 (0.57) DYRK1ABCHEDRD4NPY5RHRH4
SCHEMBL604828 0.72 HRH4 (0.67) DYRK1ADRD4HRH4TSHRKDM4E
SCHEMBL13780833 0.70 DYRK1A (0.66) DYRK1ABCHEHRH4KDM4EALDH1A1

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
JP-3167178-A None JP disclosed
JP-H03167178-A PYRIMIDINE DERIVATIVES NAKAYAMA TAIJI 1991-07-19 JP disclosed