SCHEMBL6972304

SCHEMBL6972304

CCCCn1c(COCc2ccccc2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
VCP P55072 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 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
SCHEMBL14439831 0.91 HDAC1 (0.40) HSP90B1VCPTDP1TRAP1HDAC1
SCHEMBL6966496 0.90 VCP (0.37) VCPTDP1MAPTSMN1; SMN2SLC5A2
SCHEMBL6972409 0.89 VCP (0.35) VCPTDP1MAPTSMN1; SMN2SLC5A2
SCHEMBL8109133 0.89 VCP (0.35) VCPTDP1HDAC1HDAC8MAPT
SCHEMBL14439828 0.89 TDP1 (0.40) KMT2AVCPTDP1MAPTSMN1; SMN2
SCHEMBL14439841 0.87 VCP (0.36) VCPTDP1MAPTSMN1; SMN2SLC5A2
SCHEMBL14439829 0.87 VCP (0.36) VCPTDP1HDAC1HDAC8MAPT
SCHEMBL6965896 0.87 VCP (0.36) VCPTDP1HDAC1HDAC8MAPT
SCHEMBL6967249 0.87 HSP90B1 (0.33) HSP90B1KMT2AVCPTDP1TRAP1
SCHEMBL6967218 0.86 MAPT (0.35) HSP90B1MAPTSMN1; SMN2TLR7DHODH

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