SCHEMBL26168387

SCHEMBL26168387

Nc1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 4/20 0.74
▸ PTPN5 P54829 2/20 0.74
▸ PTPN1 P18031 2/20 0.74
▸ PTPN7 P35236 1/20 0.74
▸ DUSP3 P51452 1/20 0.74
▸ AKT1 P31749 1/20 0.49
▸ TYR P14679 1/20 0.47
▸ PIK3CG P48736 5/20 0.45
▸ PIK3CA P42336 4/20 0.45
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CGAS Q8N884 1/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL26168391 0.86 PTPN22 (0.83) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25248127 0.85 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL14444606 0.85 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25248130 0.85 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25244364 0.84 PTPN22 (0.70) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25244363 0.84 PTPN22 (0.70) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168393 0.84 PTPN22 (0.83) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25218896 0.84 PTPN5 (0.69) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168386 0.84 PTPN22 (0.75) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25267615 0.81 PTPN22 (0.71) PTPN22PTPN5PTPN1PTPN7DUSP3

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
WO-2023091674-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-25 — — WO disclosed
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