SCHEMBL6971127

SCHEMBL6971127

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 5/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC29A1 Q99808 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
ALDH1A1 P00352 5/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL7084673 0.91 PDE4A (0.38) POLBHPGDMAPTKMT2AL3MBTL1
SCHEMBL6973615 0.89 MAPT (0.39) POLBHPGDMAPK1MAPTRAB9A
SCHEMBL6968703 0.89 MAPT (0.37) POLBHPGDMAPK1MAPTRAB9A
SCHEMBL7081285 0.89 MAPT (0.37) POLBHPGDMAPK1MAPTRAB9A
SCHEMBL6973833 0.87 MAPT (0.36) POLBHPGDMAPTRAB9AKMT2A
SCHEMBL6966664 0.87 MAPT (0.38) POLBHPGDMAPTRAB9AKMT2A
SCHEMBL7083710 0.87 KMT2A (0.38) POLBHPGDMAPTRAB9AKMT2A
SCHEMBL6974823 0.86 MAPT (0.37) POLBHPGDMAPTRAB9AKMT2A
SCHEMBL6973612 0.86 KMT2A (0.39) POLBHPGDMAPTRAB9AKMT2A
SCHEMBL6974920 0.85 ALDH1A1 (0.37) HPGDKMT2AL3MBTL1SMN1; SMN2KDM4E

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