SCHEMBL9607686

SCHEMBL9607686

COc1nc(-c2ccc(C)c(-c3ccccc3)n2)nc2cccc([N+](C)=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP1A2 P05177 3/20 0.40
NR1I3 Q14994 2/20 0.40
CYP3A4 P08684 2/20 0.40
VDR P11473 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
AHR P35869 1/20 0.40
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
WHR1 P49842 1/20 0.34

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
SCHEMBL8779209 0.92 POLB (0.49) POLBCYP1A2NR1I3CYP3A4VDR
SCHEMBL13063429 0.83 NR1I3 (0.40) POLBCYP1A2NR1I3CYP3A4VDR
SCHEMBL8779280 0.74 PDE10A (0.42) POLBNR1I3RAB9ASMN1; SMN2MAPT
SCHEMBL8779590 0.70 MAPT (0.51) POLBCYP1A2NR1I3CYP3A4VDR
SCHEMBL3787452 0.69 PDE10A (0.54) POLBCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL10697834 0.67 L3MBTL1 (0.57) POLBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL8779307 0.67 KDM4E (0.49) CYP1A2NR1I3CYP3A4VDRCYP2C9
SCHEMBL8779566 0.67 ABCG2 (0.48) POLBCYP1A2NR1I3CYP3A4VDR
SCHEMBL3795393 0.66 PDE10A (0.42) POLBNR1I3NPC1RAB9ASMN1; SMN2
SCHEMBL8776938 0.66 PDE10A (0.51) POLBCYP1A2NPC1RAB9ASMN1; SMN2

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed