SCHEMBL14493286

SCHEMBL14493286

CCN(C)CCN(C)c1nc(-c2ccc(OC)cc2)nc2sc(C#N)c(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
HPGD P15428 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
ATM Q13315 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
PRKCI P41743 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT1 Q99873 2/20 0.32

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
SCHEMBL14493231 0.90 KDM4E (0.43) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2837220 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2834800 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL14493314 0.86 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2838033 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2838757 0.84 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2833141 0.83 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2838117 0.82 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2838859 0.81 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL14493287 0.80 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TSHR

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
EP-1590352-B1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL LAB (ES) 2007-06-27 EP disclosed