SCHEMBL5314101

SCHEMBL5314101

c1ccc(C2NCNCO2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.42
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GSK3B P49841 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 1/20 0.35
MDM2 Q00987 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL8533863 0.76 SLC6A2 (0.39) CTHDDB1CRBNGSK3BMAPT
Thiophene SCHEMBL28105989 0.72 CTH (0.35) CTHDDB1CRBNGSK3BMAPT
SCHEMBL356657 0.70
SCHEMBL30316733 0.66
SCHEMBL11734130 0.66
SCHEMBL531613 0.66
SCHEMBL29240535 0.66
SCHEMBL6488261 0.66
SCHEMBL6982003 0.65 ALDH1A1 (0.42) CTHDDB1CRBNMAPTALDH1A1
SCHEMBL7897281 0.65 CHRNB4 (0.45) CTHDDB1CRBNGSK3BMAPT

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-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP disclosed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO disclosed