SCHEMBL8566460

SCHEMBL8566460

Clc1ccc(Sc2c(Cl)nc(Cl)nc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
HAO1 Q9UJM8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
TYMS P04818 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.38
CTRC Q99895 1/20 0.38

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
SCHEMBL8566577 0.83 HTR1A (0.42) HTR1ADRD2DRD4L3MBTL1MEN1
SCHEMBL8570657 0.79 HTR1A (0.50) HTR1ADRD2DRD4L3MBTL1MEN1
SCHEMBL8569140 0.78 L3MBTL1 (0.46) HTR1ADRD2DRD4HAO1L3MBTL1
SCHEMBL8571069 0.76 KDM4E (0.45) L3MBTL1MEN1KMT2ATYMSCYP3A4
SCHEMBL9475224 0.72 MAOA (0.64) HAO1L3MBTL1MAOAMAOBMEN1
SCHEMBL9476350 0.72 MAOA (0.64) HAO1L3MBTL1MAOAMAOBMEN1
SCHEMBL481976 0.72 MAOA (0.64) HAO1L3MBTL1MAOAMAOBMEN1
SCHEMBL13752160 0.72 RXFP1 (0.47) HAO1L3MBTL1MAOAMAOBMEN1
SCHEMBL6546576 0.70 MAOA (0.61) HAO1L3MBTL1MAOAMAOBMEN1
SCHEMBL6546581 0.70 MAOA (0.61) HAO1L3MBTL1MAOAMAOBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8333349-A None JP disclosed
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
JP-H08333349-A NEW PYRIMIDINE DERIVATIVE USEFUL AS PSYCHOTROPIC AGENT AND ITS PRODUCTION SUMITOMO PHARMACEUT CO LTD 1996-12-17 JP disclosed