SCHEMBL6969746

SCHEMBL6969746

CC(=O)OCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP2D6 P10635 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL7085473 0.92 MEN1 (0.35) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL7080305 0.91 LMNA (0.42) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL6971525 0.91 NPC1 (0.36) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL6974569 0.90 CYP2D6 (0.35) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL7083140 0.90 CYP2C9 (0.39) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL6969719 0.87 ALDH1A1 (0.35) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL8801589 0.86 HSP90AA1 (0.38) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL6966439 0.86 HSP90AA1 (0.41) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL6970784 0.86 HSP90AA1 (0.36) MEN1KMT2AMAPTHPGDHSP90AA1
SCHEMBL7084576 0.86 LMNA (0.35) MEN1KMT2AMAPTHPGDHSP90AA1

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