SCHEMBL5789382

SCHEMBL5789382

CSc1[c]c(-c2cccc(OCC(C)(C)C)c2)ccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.34
SLC16A3 O15427 8/20 0.33
SLC16A1 P53985 8/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PDK2 Q15119 1/20 0.32
SLC5A1 P13866 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12250931 0.73 GGPS1 (0.56) GGPS1SLC16A3SLC16A1RXRARXRB
SCHEMBL10534532 0.72 PDK2 (0.45) PDK2
SCHEMBL5790549 0.70 TAAR1 (0.38) KDM4EMAPT
SCHEMBL5788933 0.70 ESR2 (0.38)
SCHEMBL12251037 0.69 CLK4 (0.62) GGPS1SLC16A3SLC16A1RXRARXRB
SCHEMBL12251038 0.68 KIF11 (0.51) GGPS1RXRARXRB
SCHEMBL5788540 0.67 APP (0.40) KDM4EMAPT
SCHEMBL12251033 0.67 PRMT6 (0.48) MAPT
SCHEMBL12251040 0.67 BACE1 (0.47) GGPS1
SCHEMBL12251032 0.67 PRMT6 (0.48) GGPS1KDM4EGAAMAPT

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-1660500-A1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-05-31 EP disclosed
WO-2005014598-A1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-02-17 WO disclosed