SCHEMBL18070908

SCHEMBL18070908

O=C(Nc1ccc(C(F)(F)F)c(CO)c1)c1cccnc1NCC1COC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.49
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PDPK1 O15530 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL18070909 0.87 KDR (0.44) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070993 0.86 KDR (0.48) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048967 0.84 KDR (0.64) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070968 0.83 RXFP1 (0.64) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070938 0.81 MEN1 (0.50) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049845 0.81 KDR (0.48) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049021 0.80 KMT2A (0.60) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048978 0.80 KDR (0.63) KDRMEN1MAPTKMT2ALMNA
SCHEMBL18049817 0.80 KDR (0.62) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048954 0.79 KDR (0.65) KDRMEN1MAPTKMT2AL3MBTL1

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