SCHEMBL11292192

SCHEMBL11292192

O=[N+]([O-])c1ccccc1OCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
RECQL P46063 2/20 0.74
KDM4E B2RXH2 3/20 0.65
CYP11B1 P15538 2/20 0.61
CYP11B2 P19099 2/20 0.61
POLB P06746 2/20 0.60
KCNH2 Q12809 1/20 0.60
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 2/20 0.55
PIN1 Q13526 2/20 0.55
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
HTT P42858 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL9187561 0.86 NPC1 (1.00) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL9642715 0.84 NPC1 (0.89) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL13230076 0.84 NPC1 (0.75) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL4935994 0.83 NPC1 (0.51) NPC1RAB9ARECQLKDM4ECYP11B1
SCHEMBL2305236 0.83 NPC1 (0.68) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL30015078 0.83 NPC1 (0.68) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL13812975 0.82 S1PR4 (0.55) NPC1RAB9ARECQLKDM4ECYP11B1
SCHEMBL18585107 0.82 CYP11B1 (0.64) NPC1RAB9ARECQLKDM4ECYP11B1
SCHEMBL10779649 0.81 NPC1 (0.83) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL13435257 0.81 NPC1 (0.89) NPC1RAB9ARECQLKDM4EPOLB

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
US-4346242-A Method for preparing substituted meta-phenylalkoxynitrobenzenes AMERICAN CYANAMID COMPANY (US) 1982-08-24 US disclosed