SCHEMBL16625533

SCHEMBL16625533

CC1=NN(c2ccccc2)C(=O)/C1=C\C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
MAPT P10636 13/20 0.59
KMT2A Q03164 12/20 0.59
MAPK1 P28482 9/20 0.59
ALDH1A1 P00352 9/20 0.59
L3MBTL1 Q9Y468 7/20 0.59
TDP1 Q9NUW8 4/20 0.59
HTT P42858 3/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 9/20 0.58
PKM P14618 2/20 0.58
HPGD P15428 2/20 0.58
HSP90AA1 P07900 1/20 0.58
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
OPRK1 P41145 1/20 0.56
RECQL P46063 1/20 0.56
MMP14 P50281 1/20 0.56
CYP2C9 P11712 1/20 0.53

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
SCHEMBL6952163 0.81 KDM4E (0.68) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL13678890 0.81 KDM4E (0.68) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL6952167 0.81 KDM4E (0.68) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL14518012 0.81 KDM4E (0.68) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL16625525 0.81 POLB (0.47) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL12955829 0.80 KDM4E (0.45) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL10035997 0.79 KMT2A (0.81) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL28967916 0.79 KMT2A (0.81) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL28476008 0.79 KMT2A (0.81) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL420976 0.78 KDM4E (1.00) KDM4EMAPTKMT2AMAPK1ALDH1A1

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