SCHEMBL6602275

SCHEMBL6602275

CCCSc1cc(Br)ccc1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HTR7 P34969 1/20 0.34
CCR5 P51681 1/20 0.34
ESR1 P03372 1/20 0.33
PTGS2 P35354 1/20 0.31
EGFR P00533 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL6602281 0.86 CCR5 (0.37) POLBHTR7CCR5ESR1PTGS2
SCHEMBL25259307 0.73 PKM (0.41) POLBPTGS2
SCHEMBL5176206 0.71 POLB (0.43) POLBPTGS2EGFR
SCHEMBL10929464 0.69 ESR1 (0.38) HTR7ESR1PTGS2
SCHEMBL5361734 0.68 SMN1; SMN2 (0.38) POLBCCR5SLC6A2SLC6A4
SCHEMBL9566865 0.66 ALOX15 (0.42) POLBCCR5
SCHEMBL20505053 0.65 ALDH1A1 (0.47) POLBESR1PTGS2SLC6A2
SCHEMBL16279674 0.65 PTGS2 (0.39) PTGS2
SCHEMBL2097425 0.65 CA12 (0.52)
SCHEMBL14808309 0.65 HRH4 (0.41) POLBCCR5ESR1

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed