SCHEMBL6249012

SCHEMBL6249012

CSCc1c(-c2ccnc3cc(Cl)ccc23)c2cc(Cl)ccc2n1CC(=O)O.O=C1CCC(=O)N1Br

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.58
PTGS1 P23219 2/20 0.58
CYP2C9 P11712 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL317231 0.91 PTGDR2 (0.68) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL6243833 0.89 PTGDR2 (0.60) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317068 0.81 PTGDR2 (0.71) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317473 0.80 PTGDR2 (0.70) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL316954 0.79 PTGDR2 (0.68) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318332 0.78 PTGDR2 (0.90) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317878 0.78 PTGDR2 (0.67) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317320 0.77 PTGDR2 (0.67) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL15017088 0.74 PTGDR2 (0.62) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318388 0.73 PTGDR2 (0.83) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19

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-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO disclosed