SCHEMBL6966664

SCHEMBL6966664

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NR1D1 P20393 1/20 0.34
NR1H3 Q13133 1/20 0.34
SLC29A1 Q99808 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL6967182 0.91 MAPT (0.39) MAPTALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL7081285 0.90 MAPT (0.37) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6968703 0.90 MAPT (0.37) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL7083710 0.88 KMT2A (0.38) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6973615 0.88 MAPT (0.39) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6973833 0.88 MAPT (0.36) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6971127 0.87 POLB (0.37) MAPTALDH1A1SMN1; SMN2PKMRAB9A
SCHEMBL6974823 0.87 MAPT (0.37) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6973612 0.87 KMT2A (0.39) MAPTALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL7084631 0.86 MAPT (0.42) MAPTALDH1A1SMN1; SMN2KMT2APOLB

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