SCHEMBL2589600

SCHEMBL2589600

[CH2]c1cc(OC)cc(-n2nc3ccc(C)cc3n2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 6/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL21314229 0.89 HTT (0.39) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL13412683 0.86 NPC1 (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL2587974 0.86 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL2580908 0.86 NPC1 (0.35) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9100960 0.83 CACNA1D (0.39) NPC1RAB9AALDH1A1POLBKDM4E
SCHEMBL1099556 0.82 NPC1 (0.42) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL564179 0.80 RAB9A (0.61) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL29814623 0.80 RAB9A (0.61) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL13483389 0.78 NPC1 (0.39) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1100680 0.76 NPC1 (0.37) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564245-A1 INTRAOCULAR LENSES WITH COMBINATIONS OF UV ABSORBERS AND BLUE LIGHT CHROMOPHORES Novartis AG (CH) 2013-03-06 EP claimed
WO-2011137142-A1 INTRAOCULAR LENSES WITH COMBINATIONS OF UV ABSORBERS AND BLUE LIGHT CHROMOPHORES NOVARTIS AG (CH) 2011-11-03 WO claimed
EP-3390498-B1 HYDROPHILIZED POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS AND USES THEREOF ALCON INC (CH) 2021-05-26 EP disclosed
EP-2564245-A1 INTRAOCULAR LENSES WITH COMBINATIONS OF UV ABSORBERS AND BLUE LIGHT CHROMOPHORES Novartis AG (CH) 2013-03-06 EP disclosed
WO-2011137142-A1 INTRAOCULAR LENSES WITH COMBINATIONS OF UV ABSORBERS AND BLUE LIGHT CHROMOPHORES NOVARTIS AG (CH) 2011-11-03 WO disclosed