SCHEMBL7100111

SCHEMBL7100111

CCc1nc2cc(Cl)ccc2n1C(CC(C)C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.43
TDP1 Q9NUW8 1/20 0.40
KMO O15229 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TBXA2R P21731 1/20 0.38
ALOX5AP P20292 1/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7096051 0.88 PPARG (0.43) PPARGAPAF1
SCHEMBL7103133 0.87 AGTR1 (0.39) PPARGTBXA2RALOX5APAPAF1MEN1
SCHEMBL7100218 0.87 KDM4E (0.39) BACE1PPARGKDM4EALOX5APAPAF1
SCHEMBL7102086 0.87 APAF1 (0.47) KDM4EAPAF1ALDH1A1MEN1KMT2A
SCHEMBL7096854 0.85 APAF1 (0.39) PPARGAPAF1
SCHEMBL7097769 0.84 KMT2A (0.44) ALDH1A1MEN1KMT2A
SCHEMBL7097958 0.82 PPARG (0.38) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL6426492 0.82 APAF1 (0.40) TDP1KDM4EAPAF1ALDH1A1MEN1
SCHEMBL7100556 0.81 MAPT (0.39) PPARGKDM4EALDH1A1MEN1KMT2A
SCHEMBL7098112 0.81 AGTR1 (0.41) APAF1MEN1KMT2A

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