SCHEMBL6972664

SCHEMBL6972664

CC(C)c1nc(CN=C(N)N)n(Cc2ccncc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4D Q08499 2/20 0.35
PDE4B Q07343 2/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.33
PDE4C Q08493 1/20 0.33
THRB P10828 1/20 0.33
CDC7 O00311 1/20 0.33

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
SCHEMBL6974823 0.91 MAPT (0.37) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL6965427 0.89 PDE4A (0.39) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6963024 0.89 PDE4A (0.39) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6962921 0.88 LMNA (0.36) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL7086267 0.88 MAPT (0.42) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6968230 0.88 PDE4A (0.36) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6970666 0.88 PDE4A (0.38) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6974012 0.88 PDE4A (0.38) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6974034 0.87 CFTR (0.41) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL6970308 0.86 PDE4A (0.37) PDE4APDE4DPDE4BMAPTKMT2A

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