SCHEMBL6973446

SCHEMBL6973446

CC(C)c1nc(CNC(N)=O)n(Cc2cccnc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 2/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL7084631 0.93 MAPT (0.42) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7086267 0.91 MAPT (0.42) MAPTALDH1A1POLBTHRBRECQL
SCHEMBL6973615 0.90 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6973942 0.89 RXFP1 (0.40) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6974823 0.89 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6968703 0.88 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7081285 0.88 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6964743 0.87 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7085900 0.87 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7083710 0.87 KMT2A (0.38) MAPTALDH1A1SMN1; SMN2KDM4EGAA

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 4 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
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed