SCHEMBL6968955

SCHEMBL6968955

CC(C)c1nc(CO)n(Cc2ccccc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 4/20 0.41
CFTR P13569 4/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CCR2 P41597 1/20 0.39
AR P10275 2/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL6963024 0.93 PDE4A (0.39) MAPTKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL6962629 0.91 KMT2A (0.42) MAPTKMT2AL3MBTL1HPGDCFTR
SCHEMBL7081285 0.90 MAPT (0.37) MAPTKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL6960667 0.89 KMT2A (0.41) MAPTKMT2AL3MBTL1HPGDCFTR
SCHEMBL6961422 0.88 HSP90AA1 (0.39) MAPTKMT2AL3MBTL1HPGDCFTR
SCHEMBL6970372 0.88 CCR2 (0.43) MAPTKMT2AL3MBTL1HPGDCFTR
SCHEMBL7081278 0.87 ALDH1A1 (0.40) MAPTKMT2AL3MBTL1HPGDCFTR
Hydrochloric Acid SCHEMBL6969480 0.87 CCR2 (0.43) MAPTKMT2AL3MBTL1HPGDCFTR
SCHEMBL6972931 0.87 CFTR (0.44) MAPTKMT2AL3MBTL1HPGDCFTR
SCHEMBL6972786 0.86 ALDH1A1 (0.42) MAPTKMT2AHPGDCFTRALDH1A1

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