SCHEMBL6662210

SCHEMBL6662210

Cc1cccc(OCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD3 P35462 1/20 0.44
POLB P06746 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
F2 P00734 1/20 0.43
HPGD P15428 2/20 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
SCHEMBL6657379 0.91 MAPT (0.53) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6657196 0.90 MEN1 (0.57) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6659197 0.88 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6656820 0.88 DRD2 (0.54) MAPTCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL6659094 0.86 MAOB (0.54) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6660189 0.86 DRD2 (0.46) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6659831 0.85 MEN1 (0.51) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6662627 0.84 MEN1 (0.41) MAPTCYP1A2CYP2C9MEN1KMT2A
SCHEMBL6661644 0.84 DRD2 (0.50) MAPTCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL6658613 0.83 PPARG (0.46) MAPTKDM4ECYP1A2MEN1KMT2A

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-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed