SCHEMBL28158684

SCHEMBL28158684

C=C1N(C)c2cccc(Cl)c2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
RECQL P46063 2/20 0.35
PGR P06401 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
APP P05067 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SNCA P37840 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MPI P34949 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4601919 0.79 GAA (0.34) NOTUMRECQLALDH1A1MAPTKDM4E
SCHEMBL9330615 0.78 MPI (0.41) ALDH1A1MAPTKDM4ENSD2APP
SCHEMBL14428064 0.74 MPI (0.30) ALDH1A1MAPTKDM4ENSD2APP
SCHEMBL9750447 0.73 PGR (0.33) RECQLPGRALDH1A1MAPTTDP1
SCHEMBL918366 0.71 HTT (0.51) RECQLALDH1A1MAPTKDM4EGAA
SCHEMBL8397425 0.71 HTT (0.51) RECQLALDH1A1MAPTKDM4EGAA
SCHEMBL6859897 0.70 MPI (0.32) TDP1MPI
SCHEMBL11444474 0.70 NR1H2 (0.36) DRD2DRD3ALDH1A1GAALMNA
SCHEMBL6574797 0.70 MAPT (0.42) RECQLALDH1A1MAPTKDM4ENSD2
SCHEMBL7712519 0.69 MYC (0.44) ALDH1A1MAPTKDM4EGAAHSD17B10

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
CN-106904710-A A kind of flocculant spiral pipeline, preparation method and applications 徐州工程学院 2017-06-30 CN claimed
CN-106904710-A A kind of flocculant spiral pipeline, preparation method and applications 徐州工程学院 2017-06-30 CN disclosed