SCHEMBL7011056

SCHEMBL7011056

CCOc1ccc(C)nc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 5/20 0.67
S1PR4 O95977 11/20 0.63
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
HPGD P15428 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL16900169 0.84 ALDH1A1 (0.62) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL18952487 0.81 S1PR4 (0.62) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL13603899 0.81 ALDH1A1 (0.60) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL187354 0.81 NPC1 (0.64) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL11804530 0.80 S1PR4 (0.44) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL8790468 0.79 NPC1 (0.57) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL18952532 0.79 NPC1 (0.58) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL3024027 0.78 S1PR4 (0.64) NPC1RAB9AS1PR4MAPTSMN1; SMN2
SCHEMBL5143899 0.75 NPC1 (0.63) NPC1RAB9AS1PR4MAPTALDH1A1
SCHEMBL8326193 0.73 ALDH1A1 (0.42) NPC1RAB9AS1PR4MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582675-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS Itek Ventures Pty Ltd (AU) 2013-04-24 EP disclosed
WO-2011161446-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS THE UNIVERSITY OF NOTTINGHAM (GB) 2011-12-29 WO disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO disclosed