SCHEMBL6960385

SCHEMBL6960385

CC(C)c1nc(CN(C)C)n(C)c1Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SLC2A1 P11166 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7083801 0.85 POLB (0.47) ALDH1A1HPGDSLC6A4SLC6A2SLC6A3
SCHEMBL6974959 0.85 MAOA (0.36) ALDH1A1HPGDSLC6A4SLC6A2SLC6A3
SCHEMBL7084256 0.84 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL6967632 0.83 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDSLC6A4MAOA
SCHEMBL6973932 0.83 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDSLC6A4MAOA
SCHEMBL6968786 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDSLC6A4MAOA
SCHEMBL7081061 0.82
SCHEMBL6972545 0.82 POLB (0.32) SLC6A4SLC6A2SLC6A3POLB
SCHEMBL6974787 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDSLC6A4MAOA
SCHEMBL6974087 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDSLC6A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed