SCHEMBL18048926

SCHEMBL18048926

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCCC1COC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.62
▸ MEN1 O00255 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ EGLN1 Q9GZT9 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ABCB1 P08183 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.44

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
SCHEMBL18048967 0.90 KDR (0.64) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18070967 0.84 KDR (0.60) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18048976 0.83 KDR (0.58) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18071041 0.82 KDR (0.59) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL18048989 0.82 KDR (0.62) KDRMEN1MAPTKMT2ALMNA
Trifluoroacetic Acid SCHEMBL18049016 0.81 KDR (0.56) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18071003 0.81 KDR (0.66) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18049014 0.80 KDR (0.64) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18070886 0.80 KDR (0.64) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18048973 0.80 KDR (0.64) KDRMEN1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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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