SCHEMBL5503119

SCHEMBL5503119

FC(F)(F)c1cc2ccccc2nn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 3/20 0.42
▸ CNR2 P34972 2/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL9928483 0.79 KDM4E (0.50) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL10737174 0.79 KDM4E (0.46) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL7807396 0.75 CNR2 (0.47) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL7802446 0.75 HPGD (0.45) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL11484120 0.73 BACE1 (0.41) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL11173734 0.73 ALDH1A1 (0.52) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL30248459 0.73 ALDH1A1 (0.52) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL21451306 0.72 BACE1 (0.41) KDM4EMAPTHPGDALDH1A1ACHE
Hydrochloric Acid SCHEMBL21979894 0.71 ALDH1A1 (0.50) KDM4EMAPTHPGDALDH1A1GLA
SCHEMBL5483645 0.70 ALDH1A1 (0.55) KDM4EMAPTHPGDALDH1A1GLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 — — EP claimed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 — — WO claimed
CN-113039237-B Polyimide film, polyimide composition, and method for producing film using same 株式会社东进世美肯 2023-12-15 — — CN disclosed
CN-114630825-A Pesticidally active fused bicyclic heteroaromatic compounds 先正达农作物保护股份公司 2022-06-14 — — CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 — — EP disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 — — WO disclosed
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