SCHEMBL2587974

SCHEMBL2587974

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AMY1A P0DUB6 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
DHODH Q02127 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32

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 0.88 HTT (0.39) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL2589600 0.86 NPC1 (0.43) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL2580908 0.85 NPC1 (0.35) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL9408821 0.83 NPC1 (0.56) NPC1RAB9AMAPTKDM4EATM
SCHEMBL1100125 0.82 NPC1 (0.39) NPC1RAB9AABL1ABCB1BCR
SCHEMBL12199840 0.82 CA1 (0.48) NPC1RAB9AABL1ABCB1BCR
SCHEMBL9100960 0.81 CACNA1D (0.39) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL9408759 0.80 NPC1 (0.40) NPC1RAB9AMAPTKDM4EATM
SCHEMBL9638513 0.77 TRIM24 (0.42) NPC1RAB9AABL1ABCB1BCR
SCHEMBL29492118 0.77 TRIM24 (0.42) NPC1RAB9AABL1ABCB1BCR

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 6 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-3052534-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES Novartis AG (CH) 2016-08-10 EP disclosed
WO-2015048035-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES NOVARTIS AG (CH) 2015-04-02 WO 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