SCHEMBL18070893

SCHEMBL18070893

O=C(Nc1ccc(C(F)(F)F)cc1)c1nccnc1NC[C@@H]1CCC[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ KDR P35968 3/20 0.43
▸ FLT1 P17948 2/20 0.42
▸ AXL P30530 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ GAS6 Q14393 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SCD O00767 1/20 0.38

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
SCHEMBL18070898 1.00 MAPT (0.48) MAPTKDRFLT1AXLFLT3
SCHEMBL18048941 1.00 MAPT (0.48) MAPTKDRFLT1AXLFLT3
SCHEMBL18070929 0.98 MAPT (0.48) MAPTKDRFLT1AXLFLT3
SCHEMBL18048937 0.98 MAPT (0.48) MAPTKDRFLT1AXLFLT3
SCHEMBL18070978 0.98 MAPT (0.48) MAPTKDRFLT1AXLFLT3
SCHEMBL18070896 0.87 USP30 (0.39) KMT2ASCDTRPV1
SCHEMBL18070892 0.87 USP30 (0.39) KMT2ASCDTRPV1
SCHEMBL18070942 0.86 SCN10A (0.43) MAPTKDRIDO1TDO2
SCHEMBL18070945 0.86 SCN10A (0.43) MAPTKDRIDO1TDO2
SCHEMBL18070876 0.86 KDR (0.61) MAPTKDRAXLFLT3TYRO3

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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