SCHEMBL7767933

SCHEMBL7767933

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
PDE4D Q08499 11/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NAMPT P43490 1/20 0.36
IMPDH2 P12268 1/20 0.36
JAK1 P23458 1/20 0.35
POLB P06746 1/20 0.35

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 0.91 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DNPC1RAB9ALMNA
SCHEMBL7767039 0.89 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DLMNAALDH1A1KMT2A
SCHEMBL7146644 0.89 SMN1; SMN2 (0.53) SMN1; SMN2PDE4DNPC1RAB9ALMNA
SCHEMBL7151689 0.86 SMN1; SMN2 (0.43) SMN1; SMN2PDE4DNPC1RAB9ALMNA
SCHEMBL7762515 0.84 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DNPC1RAB9ALMNA
SCHEMBL7766251 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DLMNANAMPTPOLB
SCHEMBL7762520 0.83 JAK2 (0.48) SMN1; SMN2PDE4DNPC1RAB9AMEN1
SCHEMBL7762456 0.82 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DKMT2AJAK1
SCHEMBL6871450 0.82 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DLMNAALDH1A1POLB
SCHEMBL7767942 0.81 SMN1; SMN2 (0.41) SMN1; SMN2PDE4DNPC1RAB9ALMNA

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