SCHEMBL7948673

SCHEMBL7948673

CCOC(=O)CCc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 3/20 0.48
TSHR P16473 1/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3117835 0.86 ALDH1A1 (0.69) MAPTALDH1A1TDP1KDM4ECYP4F2
SCHEMBL16618859 0.84 MAPT (0.53) MAPTALDH1A1TDP1KDM4ECYP4F2
SCHEMBL9445187 0.83 MAPT (0.54) MAPTALDH1A1TDP1KDM4ECYP4F2
SCHEMBL2130827 0.80 CYP4F2 (0.53) MAPTALDH1A1KDM4ECYP3A4CYP4F2
SCHEMBL17806642 0.80 CYP4F2 (0.53) MAPTALDH1A1KDM4ECYP3A4CYP4F2
SCHEMBL14436163 0.80 ALDH1A1 (0.51) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL7403134 0.80 TDP1 (0.54) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL1771537 0.78 CYP3A4 (0.56) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL30873107 0.78 CYP3A4 (0.56) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL588348 0.78 CYP3A4 (0.63) MAPTALDH1A1TDP1KDM4ECYP3A4

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-2010002802-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed