SCHEMBL8107782

SCHEMBL8107782

COc1c[c]cc(Br)c1Oc1nc(C)nc(N2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.39
TSHR P16473 6/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 1/20 0.35
CRHR1 P34998 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6770540 0.79 MEN1 (0.40) MEN1KMT2AHTTATMRECQL
SCHEMBL6775737 0.78 KMT2A (0.39) MEN1KMT2AHTTATMRECQL
SCHEMBL6781376 0.78 MEN1 (0.39) MEN1KMT2AHTTATMRECQL
SCHEMBL6780139 0.78 TSHR (0.40) MEN1KMT2AHTTATMRECQL
SCHEMBL6780509 0.78 MEN1 (0.39) MEN1KMT2AHTTATMRECQL
SCHEMBL6770576 0.78 KMT2A (0.39) MEN1KMT2AHTTATMRECQL
SCHEMBL6770815 0.76 KMT2A (0.39) MEN1KMT2AHTTATMRECQL
SCHEMBL12143619 0.74 KMT2A (0.75) MEN1KMT2AHTTATMRECQL
SCHEMBL8113017 0.72 CRHR1 (0.46) MEN1KMT2AHTTCRHR1
SCHEMBL6770041 0.69 CRHR1 (0.46) MEN1KMT2AALOX15HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP claimed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP claimed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed