SCHEMBL3985808

SCHEMBL3985808

CCOC(=O)c1nc(NC(=O)c2cnccn2)cn1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.57
NPC1 O15118 12/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 2/20 0.53
RPS6KA3 P51812 1/20 0.51
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL13845742 0.83 NPC1 (0.50) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL13845732 0.81 RPS6KA3 (0.49) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL14072168 0.80 RPS6KA3 (0.48) RAB9ANPC1KMT2AHPGDRPS6KA3
SCHEMBL13845779 0.76 RPS6KA3 (0.48) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL14072191 0.76 RPS6KA3 (0.47) RAB9ANPC1SMN1; SMN2KMT2ARPS6KA3
SCHEMBL10143997 0.76 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL13879891 0.76 RPS6KA3 (0.45) KMT2AHPGDRPS6KA3POLBKDM4E
SCHEMBL14543365 0.75 RPS6KA3 (0.51) RAB9ANPC1SMN1; SMN2HPGDRPS6KA3
SCHEMBL13845690 0.74 RPS6KA3 (0.50) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL13879895 0.74 RPS6KA3 (0.46) RAB9ANPC1SMN1; SMN2KMT2AHPGD

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-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed