SCHEMBL7766259

SCHEMBL7766259

COc1ccc(-c2ccccc2C)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
JAK1 P23458 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IMPDH2 P12268 1/20 0.39
PDE4D Q08499 3/20 0.39
NAMPT P43490 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
BCL6 P41182 1/20 0.36

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
SCHEMBL7766248 0.91 SMN1; SMN2 (0.49) SMN1; SMN2JAK1MEN1KMT2ALMNA
SCHEMBL7044467 0.91 SMN1; SMN2 (0.49) SMN1; SMN2JAK1MEN1KMT2ALMNA
SCHEMBL7146644 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL7765412 0.84 SMN1; SMN2 (0.47) SMN1; SMN2JAK1MEN1KMT2ALMNA
SCHEMBL7766251 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHPGDTP53HSD17B10
SCHEMBL7767039 0.83 SMN1; SMN2 (0.46) SMN1; SMN2JAK1KMT2ALMNAHPGD
SCHEMBL7762520 0.82 JAK2 (0.48) SMN1; SMN2MEN1KMT2AHPGDNPC1
SCHEMBL7044324 0.82 KMT2A (0.46) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL7762515 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL7762456 0.81 SMN1; SMN2 (0.45) SMN1; SMN2JAK1KMT2APDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed