SCHEMBL16684694

SCHEMBL16684694

O/N=C/c1cc2ccc(F)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
PRMT1 Q99873 4/20 0.38
ACHE P22303 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MIF P14174 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP2A6 P11509 1/20 0.33
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL16684695 1.00 APP (0.48) APPPRMT1ACHEKDM4EALDH1A1
SCHEMBL16693152 0.86 APP (0.48) APPPRMT1ACHEKDM4EHPGD
SCHEMBL16684587 0.86 APP (0.48) APPPRMT1ACHEKDM4EHPGD
SCHEMBL16684573 0.77 CYP2A6 (0.58) APPPRMT1ACHEKDM4EALDH1A1
SCHEMBL16693057 0.77 CYP2A6 (0.58) APPKDM4EALDH1A1HPGDMEN1
SCHEMBL533466 0.77 CYP2A6 (0.58) APPKDM4EALDH1A1HPGDMEN1
SCHEMBL6488493 0.76 KMT2A (0.46) PRMT1KDM4EALDH1A1HPGDMEN1
SCHEMBL6488496 0.76 KMT2A (0.46) PRMT1KDM4EALDH1A1HPGDMEN1
SCHEMBL20559600 0.73 APP (0.43) APPACHEF2RL3PGR
SCHEMBL20559602 0.73 APP (0.43) APPACHEF2RL3PGR

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