SCHEMBL28313371

SCHEMBL28313371

O=S(=O)(c1ccccc1)n1cc(-c2ncc(C(F)(F)F)cn2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.59
DRD2 P14416 3/20 0.55
HTR2A P28223 2/20 0.55
HTR7 P34969 2/20 0.55
HTR1A P08908 1/20 0.55
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA2 P00918 3/20 0.52
CA1 P00915 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL24780773 0.78 HTR6 (0.71) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL30261036 0.77 HTR6 (0.52) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL16703805 0.76 HTR6 (0.54) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL3644542 0.75 HTR6 (1.00) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL26967483 0.74 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL20561505 0.74 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL25593890 0.74 HTR6 (0.50) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29728504 0.74 HTR6 (0.65) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL724446 0.74 HTR6 (0.65) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29903480 0.73 HTR6 (0.62) HTR6DRD2HTR2AHTR7HTR1A

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
CN-110036004-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2019-07-19 CN disclosed