SCHEMBL7085948

SCHEMBL7085948

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
GNRHR P30968 1/20 0.34
PTAFR P25105 1/20 0.34

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
SCHEMBL7084614 0.95 FKBP1A (0.38) FKBP1AMEN1KMT2ARXFP1CYP19A1
SCHEMBL6972478 0.93 RXFP1 (0.38) FKBP1ARXFP1CYP19A1CYP11B1CYP11B2
SCHEMBL6973302 0.92 MEN1 (0.35) FKBP1AMEN1KMT2ACYP19A1CYP11B1
SCHEMBL6973942 0.92 RXFP1 (0.40) FKBP1ARXFP1MAPTKDM4EALDH1A1
SCHEMBL6973612 0.89 KMT2A (0.39) FKBP1AMEN1KMT2ARXFP1CYP19A1
SCHEMBL6973497 0.88 ALDH1A1 (0.38) FKBP1AMAPTKDM4EALDH1A1
SCHEMBL6969763 0.88 GRIN1 (0.35) FKBP1APTAFR
SCHEMBL6971258 0.88 LMNA (0.40) FKBP1A
SCHEMBL6973752 0.87 PDE4A (0.35) MEN1KMT2ARXFP1MAPTALDH1A1
SCHEMBL6964484 0.87 CACNA1F (0.36) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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