SCHEMBL16625525

SCHEMBL16625525

CC(C)(C)/C=C1\C(=O)N(c2ccccc2)N=C1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
KAT8 Q9H7Z6 2/20 0.46
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 11/20 0.45
MEN1 O00255 8/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 9/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
EP300 Q09472 1/20 0.43
GAA P10253 3/20 0.42
LOX P28300 1/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
OPRK1 P41145 1/20 0.40

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
SCHEMBL14330254 0.84 KDM4E (0.52) POLBKAT8KDM4EKMT2AMEN1
SCHEMBL16625533 0.81 KDM4E (0.64) POLBKDM4EKMT2AMEN1HSP90AA1
SCHEMBL16627395 0.80 KMT2A (0.48) POLBKAT8KDM4EKMT2AMEN1
SCHEMBL12955829 0.76 KDM4E (0.45) POLBKDM4EKMT2AMEN1HSP90AA1
SCHEMBL14447821 0.76 MAPK1 (0.37) POLBKAT8KDM4EKMT2AMEN1
SCHEMBL11045855 0.75 MEN1 (0.55) POLBKAT8KDM4EKMT2AMEN1
SCHEMBL11045857 0.75 MEN1 (0.55) POLBKAT8KDM4EKMT2AMEN1
SCHEMBL6739597 0.75 POLB (0.49) POLBKAT8KDM4EKMT2AMEN1
SCHEMBL5706408 0.74 MEN1 (0.74) POLBKAT8KMT2AMEN1MAPT
SCHEMBL5706411 0.74 MEN1 (0.74) POLBKAT8KMT2AMEN1MAPT

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-9251964-B2 Porphyrin-based compound, dye and dye-sensitized solar cell comprising the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-02 US disclosed
US-20150096618-A1 PORPHYRIN-BASED COMPOUND, DYE AND DYE-SENSITIZED SOLAR CELL COMPRISING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-09 US disclosed