SCHEMBL7096051

SCHEMBL7096051

CCc1nc2cc(Cl)c(Cl)cc2n1C(CC(C)C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.43
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
APAF1 O14727 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7097958 0.89 PPARG (0.38) PPARG
SCHEMBL7100556 0.88 MAPT (0.39) PPARGAGTR1AGTR2
SCHEMBL7100111 0.88 BACE1 (0.43) PPARGAPAF1
SCHEMBL7096854 0.88 APAF1 (0.39) PPARGAPAF1HDAC6
SCHEMBL7100218 0.86 KDM4E (0.39) PPARGAPAF1HDAC6
SCHEMBL7102086 0.85 APAF1 (0.47) APAF1HDAC6
SCHEMBL6426492 0.85 APAF1 (0.40) APAF1
SCHEMBL7098112 0.84 AGTR1 (0.41) AGTR1AGTR2APAF1
SCHEMBL7103133 0.84 AGTR1 (0.39) PPARGAGTR1AGTR2APAF1HDAC6
SCHEMBL7099617 0.82 TP53 (0.43) PPARG

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-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed