SCHEMBL15318108

SCHEMBL15318108

O=S(=O)(Oc1ccc2c(c1)sc1ccccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 4/20 0.49
▸ PTPN7 P35236 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ PTPN22 Q9Y2R2 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GPR3 P46089 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ STS P08842 2/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ HTR1D P28221 3/20 0.39
▸ HTR1B P28222 3/20 0.39

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
SCHEMBL29813826 0.90 PTPN7 (0.46) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL21824195 0.90 PTPN7 (0.46) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL20932889 0.88 CA1 (0.44) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL15952958 0.85 CA1 (0.44) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL18255463 0.84 CA1 (0.51) CA1CA2STSHTR1AHTR1D
SCHEMBL26549506 0.83 PTPN7 (0.47) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL18164789 0.82 CA1 (0.36) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL24627969 0.81 CA1 (0.43) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL26543446 0.81 CA1 (0.43) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL18820393 0.81 CA2 (0.46) CA1CA2STSHTR1AHTR1D

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-20130270530-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND COMPOUND UDC IRELAND LIMITED (IE) 2013-10-17 — — US disclosed
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