SCHEMBL29813826

SCHEMBL29813826

O=S(=O)(Oc1ccc2c(c1)c1ccccc1c1cc3c(cc21)sc1ccccc13)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ STS P08842 2/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ HTR1D P28221 4/20 0.38
▸ HTR1B P28222 4/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL21824195 1.00 PTPN7 (0.46) PTPN7DUSP3PTPN12PTPN22CA1
SCHEMBL15952958 0.96 CA1 (0.44) PTPN7DUSP3PTPN12PTPN22CA1
SCHEMBL15318108 0.90 CA1 (0.49) PTPN7DUSP3PTPN12PTPN22CA1
SCHEMBL15959747 0.89 CA1 (0.39) PTPN7DUSP3PTPN12PTPN22CA1
SCHEMBL10023272 0.84 HTR1D (0.47) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL17548705 0.84 HTR1D (0.47) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL29511664 0.84 HTR1D (0.47) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL2810467 0.84 HTR1D (0.47) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL1702438 0.84 HTR1D (0.47) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL20932889 0.84 CA1 (0.44) PTPN7DUSP3PTPN12PTPN22CA1

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
US-20220246862-A1 ORGANIC COMPOUND AND BLUE ORGANIC LIGHT EMITTING DIODE USING THE SAME LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-08-04 — — US disclosed
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