SCHEMBL3761206

SCHEMBL3761206

O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(O)c2n1.O=C([O-])c1ccc2cccc(OC(=O)c3ccc4cccc(O)c4n3)c2n1.[Al+3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
PIM1 P11309 1/20 0.51
PDE4D Q08499 2/20 0.43
METAP2 P50579 2/20 0.40
LMNA P02545 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALOX5 P09917 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL30122579 0.86 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL39246 0.86 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL7362665 0.85 KMT2A (0.54) KMT2AKDM4EPIM1PDE4DMETAP2
Zinc Ion SCHEMBL13506535 0.84 KDM4E (0.67) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL19611842 0.83 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL5839066 0.83 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL990067 0.83 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL3099157 0.83 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
Lithium Ion SCHEMBL148815 0.83 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2
SCHEMBL18428500 0.83 KDM4E (0.69) KMT2AKDM4EPIM1PDE4DMETAP2

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-20100301311-A1 Organic Semiconductor Device ROHM CO., LTD. (JP) 2010-12-02 US disclosed