SCHEMBL18070949

SCHEMBL18070949

N#Cc1ccc(NC(=O)c2cccnc2NC[C@@H]2CCC[C@H]2O)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.48
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ AR P10275 6/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ BLM P54132 1/20 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
SCHEMBL18071012 1.00 KDR (0.48) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18048935 1.00 KDR (0.48) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18070901 0.93 KDR (0.46) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18049023 0.93 KDR (0.46) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18070900 0.93 KDR (0.46) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18070902 0.88 KDR (0.42) KDRBRAFARBLM
SCHEMBL18070903 0.88 KDR (0.42) KDRBRAFARBLM
SCHEMBL18048988 0.88 KDR (0.42) KDRBRAFARBLM
SCHEMBL18070989 0.83 EGLN1 (0.48) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18070876 0.83 KDR (0.61) KDRMEN1ALDH1A1LMNAMAPT

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
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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