SCHEMBL7016071

SCHEMBL7016071

COc1ccc(CNc2nc(CN3CCC(N(C)C)CC3)nc3sc4c(c23)CCCC4)cc1Cl.COc1ccc(CNc2nc(CNCCCCCCO)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.39
PDE5A O76074 2/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 6/20 0.38
HTT P42858 4/20 0.38
GAA P10253 3/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5405163 0.91 ALDH1A1 (0.47) SMN1; SMN2RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL5412840 0.89 MAPT (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5402116 0.86 MAPT (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5412985 0.84 PDE5A (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5413420 0.83 MAPT (0.48) SMN1; SMN2RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL5410532 0.83 MAPT (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5419673 0.82 ALDH1A1 (0.49) SMN1; SMN2RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL5407504 0.80 MAPT (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5404955 0.79 PDE5A (0.46) SMN1; SMN2RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL5413011 0.79 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1KDM4EHSD17B10

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
EP-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP disclosed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 WO disclosed