SCHEMBL6973612

SCHEMBL6973612

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 1/20 0.35
FKBP1A P62942 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
PTAFR P25105 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL6973833 0.95 MAPT (0.36) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL7081285 0.92 MAPT (0.37) KMT2AMEN1MAPTRAB9AL3MBTL1
SCHEMBL6970308 0.91 PDE4A (0.37) KMT2AMEN1MAPTL3MBTL1POLB
SCHEMBL7083710 0.90 KMT2A (0.38) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL8115209 0.89 TBXAS1 (0.38) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL8115213 0.89 TBXAS1 (0.38) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL6974930 0.89 RXFP1 (0.36) KMT2ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL7085948 0.89 FKBP1A (0.41) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL6968703 0.88 MAPT (0.37) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL6970047 0.87 POLB (0.39) KMT2AMEN1MAPTPOLBALDH1A1

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