SCHEMBL7500203

SCHEMBL7500203

CN(C)c1ccc(NC(N)=S)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHEK1 O14757 1/20 0.49
NEK2 P51955 1/20 0.49
LIMK1 P53667 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47

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
SCHEMBL29145255 0.81 GAA (0.58) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL19286172 0.79 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL30356302 0.79 L3MBTL1 (0.53) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7814232 0.79 L3MBTL1 (0.53) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL17281502 0.76 ALDH1A1 (0.63) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL1563189 0.75 GAA (0.46) GAASMN1; SMN2KMT2AKDM4EMEN1
Trimethylammonium SCHEMBL27986322 0.75 KDM4E (0.63) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4308507 0.74 CHEK1 (0.53) GAAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11166274 0.73 L3MBTL1 (0.47) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL29919884 0.73 CHEK1 (0.73) GAAALDH1A1SMN1; SMN2KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181070-C Urea substituted imidazoquinolines 3M 2004-12-22 CN claimed
EP-1198232-A4 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
CN-1355701-A Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-26 CN claimed
EP-1198232-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP claimed
WO-2000076518-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed