SCHEMBL8596386

SCHEMBL8596386

CCCCCOc1cccnc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.58
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17066377 0.91 S1PR4 (0.60) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL5143899 0.84 NPC1 (0.63) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL2605604 0.84 S1PR4 (0.56) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL3142475 0.83 S1PR4 (0.63) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL23851490 0.83 S1PR4 (0.59) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL6427203 0.81 S1PR4 (0.60) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL12880437 0.81 S1PR4 (0.56) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL7372937 0.81 ALDH1A1 (0.51) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL28403783 0.80 S1PR4 (0.53) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL8149292 0.80 ALDH1A1 (0.53) S1PR4KMT2AMEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed