SCHEMBL7146644

SCHEMBL7146644

COc1ccc(-c2ccccc2)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
PDE4D Q08499 10/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PIM1 P11309 1/20 0.39
LIMK1 P53667 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7765412 0.92 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DMAPTKDM4ENPC1
SCHEMBL7766251 0.91 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DMAPTRXFP1LMNA
SCHEMBL7767039 0.90 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DMAPTKDM4ELMNA
SCHEMBL7762520 0.90 JAK2 (0.48) SMN1; SMN2PDE4DMAPTKDM4ENPC1
SCHEMBL7762456 0.89 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DMAPTKMT2A
SCHEMBL6871450 0.89 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DMAPTKDM4ELMNA
SCHEMBL7766259 0.88 SMN1; SMN2 (0.51) SMN1; SMN2PDE4DMAPTNPC1RAB9A
SCHEMBL7762663 0.88 PDE4D (0.57) SMN1; SMN2PDE4DMAPTNPC1ALDH1A1
SCHEMBL7151689 0.88 SMN1; SMN2 (0.43) SMN1; SMN2PDE4DMAPTKDM4ENPC1
SCHEMBL7762515 0.87 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DMAPTKDM4ENPC1

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
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
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