SCHEMBL2589705

SCHEMBL2589705

C=C(C)C(=O)OCc1cc(C)cc(N=Nc2ccccc2C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPK1 P28482 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ AHR P35869 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
SCHEMBL12107154 0.87 THRB (0.41) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL2589702 0.87 THRB (0.41) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL29883561 0.83 MAPT (0.49) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL10001950 0.83 THRB (0.36) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL825302 0.83 MAPT (0.49) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL825301 0.83 MAPT (0.49) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL14694332 0.80 TP53 (0.41) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL14694334 0.80 TP53 (0.41) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL10001947 0.80 THRB (0.31) THRB
SCHEMBL1005301 0.79 ACHE (0.36) KMT2AMEN1MAPTRAB9ANPSR1

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
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
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