SCHEMBL7778652

SCHEMBL7778652

[O]CCC(O)CN(CCO)CCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
P2RX3 P56373 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.31
ALOX15 P16050 1/20 0.30
PNP P00491 2/20 0.30

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
SCHEMBL7298228 0.85 KDM4E (0.39) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL7778656 0.83 KDM4E (0.46) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL7776022 0.81 KDM4E (0.44) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL8617028 0.80 KDM4E (0.55) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL9003511 0.78 KDM4E (0.46) KDM4EMAPTPNP
SCHEMBL14278873 0.77 KDM4E (0.42) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL7298238 0.77 KDM4E (0.42) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL8474662 0.76 MAPT (0.46) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL3279037 0.75 KDM4E (0.47) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL19015373 0.74 KDM4E (0.40) KDM4ETSHRGAAALDH1A1LMNA

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
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed