SCHEMBL6018725

SCHEMBL6018725

CCc1nc2cc(C(=O)c3ccccc3)ccc2n1-c1ccc(CCOC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.48
TP53 P04637 3/20 0.45
MAPT P10636 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
PPARG P37231 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
AGTR2 P50052 6/20 0.40
AGTR1 P30556 5/20 0.40

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
SCHEMBL3955699 0.90 PTGER4 (0.51) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL1626658 0.87 PTGER4 (0.64) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL7594246 0.85 PTGER4 (0.48) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL23844020 0.84 PTGER4 (0.49) PTGER4TP53MAPTNTRK1NTRK2
SCHEMBL7594142 0.84 PTGER4 (0.49) PTGER4TP53MAPTNTRK1NTRK2
SCHEMBL6018506 0.83 PTGER4 (0.52) PTGER4TP53MAPTNTRK1NTRK2
SCHEMBL7594108 0.82 PTGER4 (0.50) PTGER4TP53SIRT2SIRT1NTRK1
SCHEMBL7595033 0.82 PTGER4 (0.48) PTGER4TP53SIRT2SIRT1NTRK1
SCHEMBL1626075 0.81 TP53 (0.44) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL21470297 0.80 PTGER4 (0.49) PTGER4TP53NTRK1NTRK2KMT2A

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-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed