SCHEMBL9504724

SCHEMBL9504724

CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C=N2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.52
CNR2 P34972 13/20 0.42
CNR1 P21554 10/20 0.42
SLC40A1 Q9NP59 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL9508016 0.78 TYMS (0.58) TYMSCNR2CNR1SLC40A1
SCHEMBL9080571 0.74 TYMS (0.79) TYMS
SCHEMBL9508657 0.73 TYMS (0.63) TYMSCNR2CNR1
SCHEMBL9506760 0.70 TYMS (0.58) TYMSCNR2CNR1GRM5
SCHEMBL9508011 0.66 TYMS (0.73) TYMS
SCHEMBL9702076 0.64 TYMS (0.75) TYMS
SCHEMBL9508662 0.64 TYMS (0.59) TYMS
SCHEMBL2112571 0.64 TSHR (0.64) CNR2CNR1
SCHEMBL9586987 0.63 SLC2A1 (0.60) TYMSCNR2
SCHEMBL29692342 0.63 SLC2A1 (0.60) TYMSCNR2

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
EP-0550566-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS (US) 1993-07-14 EP disclosed
WO-1992005153-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1992-04-02 WO disclosed