SCHEMBL4750822

SCHEMBL4750822

CN(C)CCOc1cc([N+](=O)[O-])cc2c1OC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP19A1 P11511 4/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TLR3 O15455 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
SCHEMBL4753173 0.94 MAPT (0.41) CHRNB2CHRNA4MAPTPOLBALDH1A1
SCHEMBL4753368 0.85 ALDH1A1 (0.45) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4751070 0.85 ALDH1A1 (0.41) MAPTALDH1A1LMNASMN1; SMN2CYP19A1
SCHEMBL4751068 0.85 ALDH1A1 (0.41) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4750825 0.84 ALDH1A1 (0.40) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4751039 0.84 ALDH1A1 (0.45) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4750889 0.80 POLB (0.42) MAPTPOLBALDH1A1LMNAKDM4E
SCHEMBL8549896 0.80 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1KDM4EGAA
SCHEMBL6734151 0.79 ALDH1A1 (0.40) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4044524 0.75 LMNA (0.42) MAPTPOLBALDH1A1LMNASMN1; SMN2

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-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed