SCHEMBL7100137

SCHEMBL7100137

CCc1nc2c(C)cccc2n1-c1ccc(C(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1625262 0.79 PPARG (0.42) TLR8NR1H2NR1H3PPARGPOLB
SCHEMBL1624340 0.76 TAAR1 (0.40) TLR8NR1H2NR1H3GAAPPARG
SCHEMBL1624698 0.76 PPARG (0.40) TLR8NR1H2NR1H3PPARGMEN1
SCHEMBL9270163 0.73 LMNA (0.53) TLR8ALDH1A1PPARGMAPK1
SCHEMBL10815729 0.72 PPARG (0.47) TLR8PPARGPOLBMEN1KMT2A
SCHEMBL1625879 0.72 FAAH (0.42) NR1H2NR1H3PPARGMEN1KMT2A
SCHEMBL27582837 0.72 NR1H2 (0.39) ALDH1A1NR1H2NR1H3TSHRPPARG
SCHEMBL9847092 0.70 TLR8 (0.48) TLR8TSHRGAAPPARGNPC1
SCHEMBL7104173 0.69 MAPT (0.37) ALDH1A1NR1H2NR1H3TSHRGAA
SCHEMBL1271724 0.68 NR1H2 (0.54) NR1H2NR1H3PPARG

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