SCHEMBL28138836

SCHEMBL28138836

CN1c2ccccc2N(c2ccccc2)C1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ HRH1 P35367 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL28138277 0.82 PDGFRB (0.38) GAASMN1; SMN2PDGFRBPTPN2PTPN1
SCHEMBL16711487 0.73 GAA (0.44) POLBGAAGSK3AGSK3BSMN1; SMN2
SCHEMBL11941264 0.73 GAA (0.44) POLBGAAGSK3AGSK3BSMN1; SMN2
SCHEMBL24398363 0.73 GAA (0.44) POLBGAAGSK3AGSK3BSMN1; SMN2
SCHEMBL27536193 0.72 ALDH1A1 (0.37) GAAMTNR1AALDH1A1LMNA
SCHEMBL1928882 0.72 PDGFRB (0.34) POLBGAAGSK3AGSK3BSMN1; SMN2
SCHEMBL26298275 0.72 PDGFRB (0.34) POLBGAAGSK3AGSK3BSMN1; SMN2
SCHEMBL29843820 0.71 HDAC4 (0.37) POLBGAAGSK3AGSK3BMTNR1A
Iodide SCHEMBL2347792 0.70 HDAC4 (0.36) POLBGAAGSK3AGSK3BMTNR1A
Iodide SCHEMBL2347798 0.70 HDAC4 (0.36) POLBGAAGSK3AGSK3BMTNR1A

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-106573896-B Fluoroalkylating agents KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) 2019-11-01 — — CN disclosed
CN-106573896-A Fluoroalkylating agents 庵原化学工业株式会社 2017-04-19 — — CN disclosed
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