SCHEMBL8564591

SCHEMBL8564591

CNc1nc(Cl)c(Sc2ccccc2)c(Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.64
DRD2 P14416 3/20 0.64
DRD4 P21917 2/20 0.64
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.38
NUDT1 P36639 1/20 0.38
ADORA1 P30542 4/20 0.37
ADORA2A P29274 1/20 0.37
POLB P06746 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
TYMS P04818 1/20 0.35

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
SCHEMBL8570657 0.86 HTR1A (0.50) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL8564897 0.83 HTR1A (0.49) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL8565639 0.80 HTR1A (1.00) HTR1ADRD2DRD4
SCHEMBL8566577 0.79 HTR1A (0.42) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL10920764 0.76 MAPT (0.53) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL8566180 0.75 HTR1A (0.41) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL8570726 0.71 PDE4A (0.42) HTR1ADRD2DRD4MAPTALDH1A1
SCHEMBL3337224 0.70 NUDT1 (0.61) LMNATDP1NUDT1
SCHEMBL17302068 0.70 L3MBTL1 (0.41) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL10916129 0.70 LMNA (0.49) HTR1ADRD2DRD4MEN1KMT2A

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
EP-0826674-A1 NOVEL PYRIMIDINE DERIVATIVES EFFICACIOUS AS PSYCHOTROPIC DRUG AND PROCESS FOR THE PRODUCTION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-03-04 EP disclosed