SCHEMBL4608470

SCHEMBL4608470

Cc1cc(C)c2cccc(O)c2n1.Cc1cc(C)c2cccc(O)c2n1.O=Cc1cccc(O)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
CCR6 P51684 1/20 0.41
PARP1 P09874 3/20 0.40
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
OPRK1 P41145 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4608814 0.84 ERN1 (0.49) KDM4ETDP1CCR6KMT2AOPRK1
SCHEMBL4610693 0.81 KDM4E (0.43) ESR1ESR2KDM4ETDP1CCR6
SCHEMBL2873413 0.80 KDM4E (0.62) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL4299350 0.80 KDM4E (0.62) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL30587187 0.80 KDM4E (0.62) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL4298175 0.78 KDM4E (0.61) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL29966202 0.78 KDM4E (0.61) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL28273809 0.78 KDM4E (0.61) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL4302340 0.78 KDM4E (0.61) KDM4ETDP1PARP1TNKSTNKS2
SCHEMBL27551420 0.78 KDM4E (0.61) KDM4ETDP1PARP1TNKSTNKS2

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
EP-1935919-A1 POLYMER CONTAINING SULFO GROUP AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE POLYMER Mitsui Chemicals, Inc. (JP) 2008-06-25 EP disclosed