SCHEMBL12415218

SCHEMBL12415218

[3H]c1ccc2nn(-c3ccccc3O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 4/20 0.49
KCNMA1 Q12791 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL14594184 0.90 NPC1 (0.45) NPC1RAB9ALMNAPOLBKCNMA1
SCHEMBL59309 0.89 RAB9A (0.61) NPC1RAB9ALMNAPOLBKCNMA1
SCHEMBL29363181 0.89 RAB9A (0.61) NPC1RAB9ALMNAPOLBKCNMA1
Methane SCHEMBL10729260 0.87 RAB9A (0.59) NPC1RAB9ALMNAPOLBKCNMA1
Alcohol SCHEMBL6573170 0.80 NPC1 (0.57) NPC1RAB9ALMNAPOLBKCNMA1
Acetic Acid SCHEMBL2228922 0.79 NPC1 (0.56) NPC1RAB9ALMNAPOLBKCNMA1
SCHEMBL28139129 0.76 POLB (0.62) NPC1RAB9ALMNAPOLBKCNMA1
Tetrahydrofuran SCHEMBL28225634 0.76 POLB (0.50) NPC1RAB9ALMNAPOLBKCNMA1
SCHEMBL31437603 0.76 RAB9A (0.51) NPC1RAB9ALMNAPOLBKCNMA1
SCHEMBL29031120 0.76 RAB9A (0.51) NPC1RAB9ALMNAPOLBKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110163284-A1 LIGHTING UNIT COVER FUJIFILM CORPORATION (JP) 2011-07-07 US disclosed
US-20110155976-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-06-30 US disclosed