SCHEMBL6974900

SCHEMBL6974900

CC(C)c1c(Sc2cccc([N+](=O)[O-])c2)nc(COC(N)=O)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
TSHR P16473 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
SCHEMBL7084665 0.91 KMT2A (0.40) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6974643 0.90 CYP2C9 (0.38) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7080206 0.85 PDE4A (0.36) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL7079831 0.85 HSP90AA1 (0.41) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6973535 0.85 HSP90AA1 (0.41) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7080305 0.85 LMNA (0.42) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6966066 0.85 HSP90AA1 (0.36) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7084947 0.84 EPHX1 (0.37) LMNAALDH1A1MAPT
SCHEMBL6969756 0.84 ALOX12 (0.40) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL6965417 0.84 LMNA (0.37) LMNAALDH1A1SMN1; SMN2MAPTKMT2A

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