SCHEMBL6970666

SCHEMBL6970666

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
PDE4D Q08499 2/20 0.36
PDE4B Q07343 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
POLB P06746 2/20 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
PKM P14618 1/20 0.33
CYP19A1 P11511 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
SCHEMBL6965427 0.93 PDE4A (0.39) PDE4AHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL6974012 0.91 PDE4A (0.38) PDE4AHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL7083710 0.91 KMT2A (0.38) HPGDALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6970308 0.90 PDE4A (0.37) PDE4AHPGDALDH1A1LMNAPDE4D
SCHEMBL6963024 0.89 PDE4A (0.39) PDE4AHPGDALDH1A1LMNAPDE4D
SCHEMBL6965158 0.89 PDE4A (0.37) PDE4AHPGDALDH1A1LMNAPDE4D
SCHEMBL6965153 0.89 PDE4A (0.37) PDE4AHPGDALDH1A1LMNAPDE4D
SCHEMBL6972664 0.88 PDE4A (0.37) PDE4AHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL6973752 0.88 PDE4A (0.35) PDE4AHPGDALDH1A1LMNAPDE4D
SCHEMBL6967182 0.88 MAPT (0.39) PDE4AHPGDALDH1A1SMN1; SMN2LMNA

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