SCHEMBL5215433

SCHEMBL5215433

Cc1ccc(O)cc1S(=O)(=O)NC(=O)COCCCCN(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 4/20 0.72
SKP1 P63208 4/20 0.72
SKP2 Q13309 4/20 0.72
NR1I2 O75469 2/20 0.72
ADORA3 P0DMS8 2/20 0.72
TBXA2R P21731 2/20 0.72
AGTR1 P30556 2/20 0.72
PTGIR P43119 2/20 0.72
PDE4D Q08499 2/20 0.72
PTGDR Q13258 2/20 0.72
ABCB11 O95342 1/20 0.72
HTR1A P08908 1/20 0.72
CNR1 P21554 1/20 0.72
HTR2A P28223 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRD1 P41143 1/20 0.72
OPRK1 P41145 1/20 0.72
HTR2B P41595 1/20 0.72
SCN5A Q14524 1/20 0.72
DRD1 P21728 1/20 0.64

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
SCHEMBL5212150 0.91 CKS1B (0.78) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5212157 0.88 CKS1B (0.73) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5210755 0.86 CKS1B (0.83) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5214759 0.85 CNR1 (0.78) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5214497 0.84 CKS1B (0.86) CKS1BSKP1SKP2NR1I2ADORA3
Selexipag SCHEMBL674122 0.84 CKS1B (1.00) CKS1BSKP1SKP2NR1I2ADORA3
Selexipag SCHEMBL29360518 0.84 CKS1B (1.00) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5211279 0.83 CKS1B (0.84) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5212176 0.83 CKS1B (0.84) CKS1BSKP1SKP2NR1I2ADORA3
SCHEMBL5213604 0.83 CKS1B (0.84) CKS1BSKP1SKP2NR1I2ADORA3

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
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP claimed