SCHEMBL4687799

SCHEMBL4687799

COCCOCCOc1cc2c(NCc3ccc(OC)cc3)ncnc2cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
HTT P42858 5/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPK1 P28482 2/20 0.64
EGFR P00533 11/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
LCK P06239 2/20 0.62
PDE5A O76074 2/20 0.56
POLB P06746 2/20 0.56
NR2F2 P24468 1/20 0.56
ERBB2 P04626 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55

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
SCHEMBL6181626 0.89 MEN1 (1.00) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL22164645 0.82 HTT (0.81) MEN1KMT2AHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22290778 0.81 EGFR (0.80) MEN1KMT2AHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31429504 0.81 EGFR (0.80) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL4690315 0.80 MEN1 (0.82) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL13059538 0.80 HDAC3 (0.85) MEN1KMT2AEGFRERBB2HDAC3
SCHEMBL8809879 0.79 EGFR (0.82) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL7708517 0.79 EGFR (0.77) EGFRLCKHDAC3HDAC1HDAC6
SCHEMBL13192098 0.79 EGFR (0.97) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL22291160 0.78 MEN1 (0.78) MEN1KMT2AHTTKDM4EALDH1A1

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-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed