SCHEMBL28312482

SCHEMBL28312482

O=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2OC(F)F)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.48
▸ DRD2 P14416 5/20 0.48
▸ HTR2A P28223 4/20 0.48
▸ HTR7 P34969 3/20 0.48
▸ HTR1A P08908 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28313363 0.87 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039808 0.83 HTR6 (0.55) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29429815 0.83 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039811 0.83 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039554 0.81 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL20190392 0.81 HTR6 (0.54) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL25219570 0.77 HTR6 (0.50) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL23152049 0.75 HTR6 (0.49) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL15648088 0.74 HTR6 (0.60) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL25599716 0.74 HTR6 (0.42) HTR6DRD2HTR2AHTR7CYP3A4

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
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