SCHEMBL6962178

SCHEMBL6962178

CC(C)c1nc(CCO)n(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R Q15722 1/20 0.37
CAPN1 P07384 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6969647 0.92 TLR7 (0.42) TDP1TLR7LTB4RPDE4APDE4B
SCHEMBL6968903 0.89 MEN1 (0.43) LMNATDP1MEN1KMT2ATP53
SCHEMBL6973410 0.81 LMNA (0.41) LMNATDP1TLR7MAPTSMN1; SMN2
SCHEMBL6972595 0.80 LMNA (0.48) LMNATLR7PPARG
SCHEMBL6962251 0.78 TDP1 (0.38) LMNATDP1TLR7MEN1KMT2A
SCHEMBL7082502 0.74 BRD4 (0.38) LMNATDP1TLR7MEN1KMT2A
SCHEMBL6974234 0.73 TDP1 (0.36) LMNATDP1TLR7HTTSMN1; SMN2
SCHEMBL7081149 0.70 TLR7 (0.39) TLR7HTT
SCHEMBL14439848 0.69 POLB (0.46) TDP1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6968588 0.68 MEN1 (0.37) LMNATDP1MEN1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
CN-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN 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
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed