SCHEMBL8987697

SCHEMBL8987697

CNC(=O)ON(c1ccccc1)c1nc(C)cc(C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 2/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
RBP4 P02753 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALPL P05186 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 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
SCHEMBL8987503 0.88 POLB (0.40) POLBGAAHCRTR1HCRTR2MEN1
SCHEMBL8987671 0.84 POLB (0.37) POLBGAAHCRTR1HCRTR2RBP4
SCHEMBL8987561 0.77 HDAC4 (0.36) HCRTR1HCRTR2MEN1KMT2AMAPT
SCHEMBL9043151 0.76 HTT (0.34) POLBGAAMEN1HTTKMT2A
SCHEMBL8987728 0.76 POLB (0.38) POLBGAAHCRTR1HCRTR2MEN1
SCHEMBL9043112 0.73 ADORA2A (0.37) POLBMEN1HTTKMT2ARAB9A
SCHEMBL27311061 0.73 POLB (0.35) POLBHCRTR1HCRTR2RBP4MEN1
SCHEMBL8987920 0.73 L3MBTL1 (0.34) POLBHCRTR1HCRTR2MEN1HTT
SCHEMBL8987616 0.73 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL9043406 0.72 POLB (0.35) POLBHCRTR1HCRTR2MEN1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441747-B1 Microbicide agent CIBA GEIGY AG (CH) 1996-07-03 EP disclosed
US-5120741-A Crop protection against phytopathogenic microorganisms CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
EP-0441747-A2 Microbicide agent CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed