SCHEMBL8520712

SCHEMBL8520712

O=C=NC1(N=C=O)C=CC(c2cccc(Cl)c2)C=C1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MCL1 Q07820 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
SLC6A3 Q01959 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5175848 0.74 TDP1 (0.33) KMT2AMEN1MAPTHTR2C
SCHEMBL1628429 0.73 KDM1A (0.41) SLC9A1KMT2AMEN1MCL1IDO1
SCHEMBL4603853 0.73 MEN1 (0.37) SLC9A1KMT2AMEN1MCL1SLC6A3
SCHEMBL912112 0.71 KDM4E (0.36) SLC9A1KMT2AMEN1ALDH1A1TSHR
SCHEMBL10410658 0.63 ALDH1A1 (0.39) SLC9A1MAPTALDH1A1KDM1ARCOR1
SCHEMBL8520714 0.62 PGR (0.31) IDO1
SCHEMBL3412624 0.61
SCHEMBL28427463 0.60 SLC6A3 (0.38) IDO1SLC6A3KDM1ARCOR1HTR2A
SCHEMBL8500794 0.59 KMT2A (0.39) SLC9A1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL11124385 0.59 MDM2 (0.41) SLC9A1KMT2ASLC6A3ALDH1A1HTR2A

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-5859135-A Aqueous coating compositions comprising functional group-containing crosslinkable resins AKZO NOBEL NV (NL) 1999-01-12 US disclosed