SCHEMBL18070907

SCHEMBL18070907

O=C(Nc1ccc(C(F)(F)F)cn1)c1cccnc1NCC1COC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.48
▸ TRPV1 Q8NER1 2/20 0.47
▸ FGFR4 P22455 2/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ EPAS1 Q99814 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HCRTR1 O43613 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL18048967 0.87 KDR (0.64) KDRTRPV1GAAPTGS1MEN1
SCHEMBL18070968 0.82 RXFP1 (0.64) KDRHIF1APTGS1MEN1ALDH1A1
SCHEMBL18049845 0.80 KDR (0.48) KDRTRPV1GAAMEN1ALDH1A1
SCHEMBL18070967 0.80 KDR (0.60) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18048976 0.78 KDR (0.58) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18049021 0.77 KMT2A (0.60) KDRGAAMEN1ALDH1A1LMNA
SCHEMBL18048936 0.77 KDR (0.61) KDRGAAMEN1ALDH1A1LMNA
SCHEMBL18048926 0.77 KDR (0.62) KDRTRPV1GAAPTGS1MEN1
SCHEMBL18048989 0.77 KDR (0.62) KDRGAAMEN1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL18049016 0.77 KDR (0.56) KDRGAAMEN1ALDH1A1LMNA

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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