SCHEMBL6973535

SCHEMBL6973535

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
PDE7A Q13946 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL7079831 0.89 HSP90AA1 (0.41) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7081182 0.87 HSP90AA1 (0.39) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL6974900 0.85 LMNA (0.42) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7084665 0.84 KMT2A (0.40) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL6966066 0.83 HSP90AA1 (0.36) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL6956933 0.83 HSP90AA1 (0.41) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7077096 0.82 PDE4A (0.39) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7084591 0.81 HSP90AA1 (0.42) HSP90AA1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7080119 0.81 MAOA (0.38) ALDH1A1LOXL2
SCHEMBL6973574 0.81 KMT2A (0.41) ALDH1A1LMNAHPGDKDM4ETDP1

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