SCHEMBL18504890

SCHEMBL18504890

COc1cccc(-n2nnn(C)c2=O)c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL18504889 0.86 KDM4E (0.40) MEN1MAPTKMT2APOLBRECQL
SCHEMBL18500709 0.85 BRPF1 (0.36) MEN1MAPTKMT2AHTTCA1
SCHEMBL15352215 0.84 JAK2 (0.40) MGLLMEN1MAPTKMT2APOLB
SCHEMBL18504511 0.83 HCAR1 (0.36) KDM4EKCNN4
SCHEMBL18500482 0.83 KCNN4 (0.34) MEN1MAPTKMT2APOLBRECQL
SCHEMBL18503930 0.83 KCNN4 (0.36) KCNN4
SCHEMBL18504531 0.81 MGLL (0.33) MGLLMEN1KMT2A
SCHEMBL18504502 0.80 ALDH1A1 (0.34) MGLLMEN1MAPTKMT2APOLB
SCHEMBL18504500 0.80 DRD2 (0.33) MGLLMEN1MAPTKMT2ARECQL
SCHEMBL15351687 0.80 MGLL (0.36) MGLLMEN1MAPTKMT2APOLB

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed