SCHEMBL6974012

SCHEMBL6974012

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4D Q08499 2/20 0.36
PDE4B Q07343 2/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
PDE4C Q08493 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
ALOX5 P09917 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
SCHEMBL6970308 0.95 PDE4A (0.37) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6963024 0.93 PDE4A (0.39) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6970666 0.91 PDE4A (0.38) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6965153 0.91 PDE4A (0.37) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6965158 0.91 PDE4A (0.37) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6973833 0.91 MAPT (0.36) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL7083804 0.90 PDE4A (0.36) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6965427 0.89 PDE4A (0.39) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL7086066 0.88 KMT2A (0.36) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6972664 0.88 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