SCHEMBL18070882

SCHEMBL18070882

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NC[C@@H]1CCCC[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.61
▸ EGLN1 Q9GZT9 1/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43

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
SCHEMBL18070943 1.00 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18070885 1.00 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18070976 1.00 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18048930 1.00 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18048924 0.98 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18070928 0.98 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18070876 0.98 KDR (0.61) KDREGLN1RXFP1MEN1MAPT
SCHEMBL18048925 0.88 KDR (0.46) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18071000 0.88 KDR (0.46) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18070998 0.88 KDR (0.46) KDRRXFP1MEN1MAPTKMT2A

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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