SCHEMBL9145281

SCHEMBL9145281

COc1nc(OC)nc(Oc2cccc3c2C(=O)OCC3)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 10/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9143042 0.75 TOP2A (0.40) PTK2KDM4E
SCHEMBL11486604 0.74 DRD2 (0.44) LMNAKDM4EMAPT
SCHEMBL9137776 0.74 KDM4E (0.47) LMNAKDM4E
SCHEMBL5959482 0.71 PGR (0.52) LMNAKDM4EMAPT
SCHEMBL9139762 0.69 ALDH1A1 (0.40) KDM4EMAPT
SCHEMBL9140952 0.69 POLL (0.33) KDM4EMAPT
SCHEMBL13021607 0.69 MAOA (0.49) KDM4EMAPTDYRK1ADYRK1B
SCHEMBL11495734 0.68 MAPT (0.46) LMNAKDM4EMAPT
SCHEMBL9140407 0.68 ALDH1A1 (0.47) KDM4EMAPT
SCHEMBL9140565 0.68 TXNRD1 (0.32) LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428002-A Herbicides CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
EP-0447506-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES WITH HERBICIDAL AND PLANT GROWTH REGULATING PROPERTIES CIBA GEIGY AG (CH) 1994-10-26 EP disclosed
US-5332717-A Herbicides, plant growth regulators CIBA-GEIGY CORPORATION (US) 1994-07-26 US disclosed
WO-1991005781-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES WITH HERBICIDAL AND PLANT GROWTH REGULATING PROPERTIES DR. R. MAAG AG (CH) 1991-05-02 WO disclosed