SCHEMBL8809242

SCHEMBL8809242

O=[N+]([O-])c1ccccc1OCC1OCCO1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 2/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LMNA P02545 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
SCHEMBL4211452 0.83 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL4211458 0.83 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL3808783 0.83 NPC1 (0.60) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL10892031 0.81 CYP1A2 (0.51) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL13607111 0.81 RAB9A (0.57) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL10550058 0.80 NPC1 (0.53) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL3803035 0.80 NPC1 (0.64) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1
SCHEMBL15730801 0.78 NPC1 (0.67) RAB9ANPC1RECQLSMN1; SMN2ALDH1A1
SCHEMBL15708773 0.78 NPC1 (0.67) RAB9ANPC1RECQLSMN1; SMN2ALDH1A1
SCHEMBL13518783 0.77 NPC1 (0.46) RAB9ANPC1RECQLSMN1; SMN2L3MBTL1

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
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed