SCHEMBL7694584

SCHEMBL7694584

COc1ccccc1Oc1c(O)nc(-c2cnccn2)nc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.44
EDNRA P25101 3/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLAU P00749 1/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DHPS P49366 2/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KLK3 P07288 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
SCHEMBL9423634 0.85 FFAR1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7700308 0.84 DHPS (0.51) EDNRBEDNRAALDH1A1MAPTMEN1
SCHEMBL1937757 0.80 EDNRA (0.49) EDNRBEDNRADHPS
SCHEMBL7698527 0.79 DHPS (0.65) DHPS
SCHEMBL7698526 0.78 DHPS (0.46) EDNRBEDNRADHPSKLK3
SCHEMBL4061462 0.78 DHPS (0.49) EDNRBEDNRAALDH1A1MAPTMEN1
SCHEMBL4060945 0.77 DHPS (0.71) EDNRBEDNRADHPS
SCHEMBL28568819 0.76 DHPS (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7483960 0.75 HTT (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EDHPS
SCHEMBL5632966 0.74 HTT (0.47) ALDH1A1MAPTMEN1KMT2ANPSR1

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
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed