SCHEMBL14435593

SCHEMBL14435593

COc1ccc(/N=N/C2=C(ON(C)OC3=C(/N=N/c4ccc(OC)cc4OC)C(=O)c4ccccc43)c3ccccc3C2=O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.46
PSMD14 O00487 1/20 0.46
AR P10275 1/20 0.38
MDM2 Q00987 1/20 0.37
GAA P10253 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TP53 P04637 2/20 0.37
USP2 O75604 2/20 0.36

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
SCHEMBL14435592 0.81 MAPT (0.63) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14434939 0.76 KMT2A (0.39) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3287372 0.69 CYP19A1 (0.53) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3287376 0.69 CYP19A1 (0.53) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14434938 0.68 MEN1 (0.48) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL14434940 0.64 KMT2A (0.48) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL147963 0.63 CYP1B1 (0.59) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL8589460 0.63 CA12 (0.56) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
2-Methoxyanthraquinone SCHEMBL222927 0.63 PTPN1 (0.60) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL29002782 0.63 MAPT (0.54) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2

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
WO-2007093506-A2 O,P-DIALKOXY-PHENYL-AZOMETAL COMPLEX DYES AND THEIR USE IN OPTICAL LAYERS FOR OPTICAL DATA RECORDING CLARIANT INTERNATIONAL LTD (CH) 2007-08-23 WO disclosed