SCHEMBL16693152

SCHEMBL16693152

O/N=C/c1cc2cc(F)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ACHE P22303 1/20 0.35
PLAU P00749 1/20 0.35
CHRNA7 P36544 1/20 0.35
PRMT1 Q99873 3/20 0.35
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL16684587 1.00 APP (0.48) APPCA12CA1CA2CA9
SCHEMBL16684694 0.86 APP (0.48) APPCYP2A6KDM4EACHEPRMT1
SCHEMBL16684695 0.86 APP (0.48) APPCYP2A6KDM4EACHEPRMT1
SCHEMBL23469130 0.77 APP (0.55) APPCA12CA1CA2CA9
SCHEMBL118925 0.77 CYP2A6 (0.62) APPCA12CA1CA2CA9
SCHEMBL16693057 0.77 CYP2A6 (0.58) APPCA12CA1CA9CYP2A6
SCHEMBL533466 0.77 CYP2A6 (0.58) APPCA12CA1CA9CYP2A6
SCHEMBL16693050 0.74 MAPT (0.35) HPGDGFERSMN1; SMN2MAPT
SCHEMBL6488293 0.71 ALOX15 (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL6488298 0.71 ALOX15 (0.48) CA12CA1CA2CA9KDM4E

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-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed