SCHEMBL18048946

SCHEMBL18048946

COCCNc1nccnc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.60
▸ KDR P35968 3/20 0.47
▸ FLT1 P17948 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ TRPV1 Q8NER1 4/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL18049033 0.87 MAPT (0.57) MAPTKDRFLT1TRPV1TRPA1
SCHEMBL18049058 0.84 NPC1 (0.46) MAPTKDRFLT1MALT1NR3C1
SCHEMBL18049825 0.79 KDR (0.64) MAPTKDRFLT1TRPA1NPC1
SCHEMBL18048985 0.78 KDR (0.60) MAPTKDRFLT1
SCHEMBL18049816 0.76 MAPT (0.55) MAPTKDRTRPV1NPC1RAB9A
SCHEMBL18048944 0.75 MAPT (0.49) MAPTKDRFLT1NR3C1SMN1; SMN2
SCHEMBL3915690 0.74 MAPT (0.66) MAPTTRPV1NPC1RAB9AALDH1A1
SCHEMBL18048941 0.74 MAPT (0.48) MAPTKDRFLT1TRPV1NPC1
SCHEMBL18070898 0.74 MAPT (0.48) MAPTKDRFLT1TRPV1NPC1
SCHEMBL18070893 0.74 MAPT (0.48) MAPTKDRFLT1TRPV1NPC1

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 4 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-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
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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