SCHEMBL7765412

SCHEMBL7765412

COc1ccc(-c2ccc(C)cc2)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
PDE4D Q08499 11/20 0.44
LMNA P02545 2/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IMPDH2 P12268 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
JAK1 P23458 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7767039 0.92 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DLMNANAMPTKDM4E
SCHEMBL7146644 0.92 SMN1; SMN2 (0.53) SMN1; SMN2PDE4DLMNANPC1RAB9A
SCHEMBL7767933 0.91 SMN1; SMN2 (0.44) SMN1; SMN2PDE4DLMNANAMPTNPC1
SCHEMBL7151689 0.90 SMN1; SMN2 (0.43) SMN1; SMN2PDE4DLMNANAMPTNPC1
SCHEMBL7766251 0.89 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DLMNANAMPTMAPT
SCHEMBL7762515 0.87 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DLMNANAMPTNPC1
SCHEMBL7762520 0.86 JAK2 (0.48) SMN1; SMN2PDE4DNPC1RAB9AKDM4E
SCHEMBL7762456 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DMAPTKMT2AJAK1
SCHEMBL6871450 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DLMNAKDM4EALDH1A1
SCHEMBL7767942 0.85 SMN1; SMN2 (0.41) SMN1; SMN2PDE4DLMNANAMPTNPC1

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