SCHEMBL7079832

SCHEMBL7079832

CC(C)c1[nH]c(C(C)O)nc1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 5/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX5 P09917 1/20 0.35
HTT P42858 2/20 0.35
ACHE P22303 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL7085331 0.89 HSP90AA1 (0.39) HSP90AA1MEN1KMT2AUSP2POLB
SCHEMBL7084668 0.85 HSP90AA1 (0.38) HSP90AA1MEN1KMT2ALMNAHPGD
SCHEMBL6968078 0.85 ALOX5 (0.38) HSP90AA1MEN1KMT2ALMNAHPGD
SCHEMBL6966070 0.84 HSP90AA1 (0.36) HSP90AA1MEN1KMT2AUSP2POLB
SCHEMBL6974133 0.82 CACNA1C (0.36) HSP90AA1MEN1KMT2ALMNAHPGD
SCHEMBL6966442 0.82 HSP90AA1 (0.43) HSP90AA1MEN1KMT2AUSP2POLB
SCHEMBL6970028 0.81 HSP90AA1 (0.34) HSP90AA1MEN1KMT2AUSP2POLB
SCHEMBL6972114 0.80 LMNA (0.41) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL6961917 0.80 HAO1 (0.38) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL7086368 0.79 PDE4D (0.36) HSP90AA1MEN1KMT2ALMNAHPGD

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