SCHEMBL14419476

SCHEMBL14419476

Cn1c(/C=N/c2c(-c3ccccc3)cc(P)cc2-c2ccccc2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
KDM4E B2RXH2 10/20 0.51
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 8/20 0.48
HPGD P15428 5/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL813964 0.90 KDM4E (0.54) GAAKDM4ETP53ALOX15TSHR
SCHEMBL814177 0.79 KDM4E (0.56) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813793 0.75 KDM4E (0.66) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813671 0.75 KDM4E (0.57) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813863 0.71 KDM4E (0.56) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813879 0.70 KDM4E (0.59) GAAKDM4ETP53ALOX15TSHR
SCHEMBL814532 0.70 GAA (0.57) GAAKDM4ETP53ALOX15TSHR
SCHEMBL12460834 0.70 KDM4E (0.72) GAAKDM4ETP53ALOX15TSHR
SCHEMBL814014 0.69 KDM4E (0.60) GAAKDM4ETP53ALOX15TSHR
SCHEMBL5212990 0.69 KDM4E (1.00) GAAKDM4ETP53ALOX15TSHR

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
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed