SCHEMBL5456854

SCHEMBL5456854

O=C(O)N1CCc2ccccc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PER2 O15055 1/20 0.43
▸ CRY1 Q16526 1/20 0.43
▸ CRY2 Q49AN0 1/20 0.43
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NOTUM Q6P988 3/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ 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
SCHEMBL7357322 0.82 FFAR4 (0.44) PER2CRY1CRY2RAB9ANPC1
SCHEMBL23733163 0.73 FFAR4 (0.42) PER2CRY1CRY2NOTUMTDP1
SCHEMBL12536870 0.73 DRD2 (0.48) PER2CRY1CRY2RAB9AMAPT
SCHEMBL23732686 0.72 FFAR4 (0.42) PER2CRY1CRY2RAB9ANPC1
SCHEMBL14544862 0.72 PER2 (0.52) PER2CRY1CRY2RAB9AMAPT
SCHEMBL12601141 0.69 PER2 (0.52) PER2CRY1CRY2RAB9AMAPT
SCHEMBL1899017 0.68 FFAR4 (0.38) PER2CRY1CRY2RAB9AMAPT
SCHEMBL2124966 0.67 NOTUM (0.60) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL23732692 0.66 FFAR4 (0.46) PER2CRY1CRY2RAB9ANPC1
SCHEMBL8283892 0.66 PER2 (0.59) PER2CRY1CRY2RAB9AMAPT

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-20070135413-A1 TREATMENT OF GLIAL TUMORS WITH GLUTAMATE ANTAGONISTS NEDERGAARD MAIKEN 2007-06-14 — — US disclosed
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